{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,6]],"date-time":"2026-11-06T23:59:07Z","timestamp":1794009547990,"version":"4.8.0"},"reference-count":53,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2021,12,1]],"date-time":"2021-12-01T00:00:00Z","timestamp":1638316800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2021,12,1]],"date-time":"2021-12-01T00:00:00Z","timestamp":1638316800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2021,12,1]],"date-time":"2021-12-01T00:00:00Z","timestamp":1638316800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2021,12,1]],"date-time":"2021-12-01T00:00:00Z","timestamp":1638316800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2021,12,1]],"date-time":"2021-12-01T00:00:00Z","timestamp":1638316800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2021,12,1]],"date-time":"2021-12-01T00:00:00Z","timestamp":1638316800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2021,12,1]],"date-time":"2021-12-01T00:00:00Z","timestamp":1638316800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100001412","name":"Council of Scientific and Industrial Research, India","doi-asserted-by":"publisher","award":["09\/239(0565)\/2020-EMR-I"],"award-info":[{"award-number":["09\/239(0565)\/2020-EMR-I"]}],"id":[{"id":"10.13039\/501100001412","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001839","name":"University Grants Committee","doi-asserted-by":"publisher","award":["A1\/1112\/2021"],"award-info":[{"award-number":["A1\/1112\/2021"]}],"id":[{"id":"10.13039\/501100001839","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002889","name":"Cochin University of Science and Technology","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100002889","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000312","name":"Joseph Rowntree Foundation","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100000312","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Journal of Molecular Structure"],"published-print":{"date-parts":[[2021,12]]},"DOI":"10.1016\/j.molstruc.2021.131125","type":"journal-article","created":{"date-parts":[[2021,7,22]],"date-time":"2021-07-22T23:28:09Z","timestamp":1626996489000},"page":"131125","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":54,"special_numbering":"C","title":["A novel manganese(II) bisthiocarbohydrazone complex: Crystal structures, Hirshfeld surface analysis, DFT and molecular docking study with SARS-CoV-2"],"prefix":"10.1016","volume":"1246","author":[{"given":"K.K. Mohammed","family":"Hashim","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"E.","family":"Manoj","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"M.R. Prathapachandra","family":"Kurup","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.molstruc.2021.131125_bib0001","doi-asserted-by":"crossref","first-page":"4","DOI":"10.3390\/ph13010004","article-title":"Biological Applications of thiocarbohydrazones and their metal complexes: a perspective review","volume":"13","author":"Bonaccorso","year":"2020","journal-title":"Pharmaceuticals"},{"key":"10.1016\/j.molstruc.2021.131125_bib0002","doi-asserted-by":"crossref","first-page":"1924","DOI":"10.1039\/D0NJ04578K","article-title":"Transition metal complexes as potential tools against SARS-CoV-2: an in silico approach","volume":"45","author":"Pal","year":"2021","journal-title":"New J. Chem."},{"key":"10.1016\/j.molstruc.2021.131125_bib0003","doi-asserted-by":"crossref","first-page":"17109","DOI":"10.1021\/acs.inorgchem.0c02373","article-title":"Synthesis of palladium(II) complexes via michael addition: antiproliferative effects through ROS-mediated mitochondrial apoptosis and docking with SARS-CoV-2","volume":"59","author":"Haribabu","year":"2020","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.molstruc.2021.131125_bib0004","doi-asserted-by":"crossref","DOI":"10.1016\/j.poly.2019.114333","article-title":"Mn(II) complex of a di-2-pyridyl ketone-N(4)-substituted thiosemicarbazone: versatile biological properties and naked-eye detection of Fe2+ and Ru3+ ions","volume":"178","author":"Amritha","year":"2020","journal-title":"Polyhedron"},{"key":"10.1016\/j.molstruc.2021.131125_bib0005","article-title":"New anti-viral drugs for the treatment of COVID-19 instead of favipiravir","author":"Aktas","year":"2020","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.molstruc.2021.131125_bib0006","doi-asserted-by":"crossref","first-page":"17716","DOI":"10.1038\/s41598-020-74468-0","article-title":"Rational approach toward COVID-19 main protease inhibitors via molecular docking, molecular dynamics simulation and free energy calculation","volume":"10","author":"Keretsu","year":"2020","journal-title":"Sci. Rep."},{"key":"10.1016\/j.molstruc.2021.131125_bib0007","doi-asserted-by":"crossref","first-page":"241","DOI":"10.1016\/j.dsx.2020.03.011","article-title":"Chloroquine and hydroxychloroquine in the treatment of COVID-19 with or without diabetes: a systematic search and a narrative review with a special reference to India and other developing countries","volume":"14","author":"Singh","year":"2020","journal-title":"Diabetes Metab. Syndr. Clin. Res. Rev."},{"key":"10.1016\/j.molstruc.2021.131125_bib0008","article-title":"Hydroxychloroquine, a less toxic derivative of chloroquine, is effective in inhibiting SARS-CoV-2 infection in vitro","author":"Liu","year":"2020","journal-title":"Cell Discov."},{"key":"10.1016\/j.molstruc.2021.131125_bib0009","doi-asserted-by":"crossref","first-page":"1501","DOI":"10.1002\/mc.22610","article-title":"Molecular trail for the anticancer behavior of a novel copper carbohydrazone complex in BRCA1 mutated breast cancer","volume":"56","author":"Nair","year":"2017","journal-title":"Mol. Carcinog."},{"key":"10.1016\/j.molstruc.2021.131125_bib0010","doi-asserted-by":"crossref","first-page":"324","DOI":"10.1016\/j.inoche.2006.11.009","article-title":"Macrocyclic molecular square complex of zinc(II) self-assembled with a carbohydrazone ligand","volume":"10","author":"Manoj","year":"2007","journal-title":"Inorg. Chem. Commun."},{"key":"10.1016\/j.molstruc.2021.131125_bib0011","doi-asserted-by":"crossref","first-page":"4451","DOI":"10.1016\/j.poly.2007.05.048","article-title":"Self-assembled macrocyclic molecular squares of Ni(II) derived from carbohydrazones and thiocarbohydrazones: structural and magnetic studies","volume":"26","author":"Manoj","year":"2007","journal-title":"Polyhedron"},{"key":"10.1016\/j.molstruc.2021.131125_bib0012","doi-asserted-by":"crossref","first-page":"6731","DOI":"10.1021\/ic4008813","article-title":"Self-assembled Ln(III)4 (Ln\u00a0=\u00a0Eu, Gd, Dy, Ho, Yb) [2\u00a0\u00d7\u00a02] square grids: a new class of lanthanide cluster","volume":"52","author":"Nicholas","year":"2013","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.molstruc.2021.131125_bib0013","doi-asserted-by":"crossref","first-page":"40","DOI":"10.1016\/j.inoche.2014.03.042","article-title":"A carbohydrazone based tetranuclear Co(II) complex: self-assembly and magnetic property","volume":"45","author":"Li","year":"2014","journal-title":"Inorg. Chem. Comm."},{"key":"10.1016\/j.molstruc.2021.131125_bib0014","doi-asserted-by":"crossref","first-page":"94","DOI":"10.1016\/j.poly.2013.10.018","article-title":"Polynuclear complexes of a series of hydrazone and hydrazone\u2013oxime ligands \u2013 M2 (Fe), M4 (Mn, Ni, Cu), and Mn (Cu) examples","volume":"68","author":"Drover","year":"2014","journal-title":"Polyhedron."},{"key":"10.1016\/j.molstruc.2021.131125_bib0015","doi-asserted-by":"crossref","first-page":"66","DOI":"10.1016\/j.inoche.2013.10.048","article-title":"The [2\u00a0\u00d7\u00a02] grid tetranuclear Fe(II) and Mn(II) complexes: structure and magnetic properties","volume":"39","author":"Zhang","year":"2014","journal-title":"Inorg. Chem. Comm."},{"key":"10.1016\/j.molstruc.2021.131125_bib0016","doi-asserted-by":"crossref","first-page":"60","DOI":"10.1016\/j.inoche.2015.10.021","article-title":"Synthesis, structure and magnetic properties of a tetranuclear Mn(II) complex with carbohydrazone based ligand","volume":"62","author":"Bikas","year":"2015","journal-title":"Inorg. Chem. Comm."},{"key":"10.1016\/j.molstruc.2021.131125_bib0017","doi-asserted-by":"crossref","first-page":"4576","DOI":"10.1039\/c2cc17546k","article-title":"Predictable self-assembled [2\u00a0\u00d7\u00a02] Ln(III)4 square grids (Ln\u00a0=\u00a0Dy,Tb)\u2014SMM behaviour in a new lanthanide cluster motif","volume":"48","author":"Anwar","year":"2012","journal-title":"Chem. Comm."},{"key":"10.1016\/j.molstruc.2021.131125_bib0018","first-page":"1207","article-title":"Self-assembled macrocyclic tetranuclear molecular square [Ni(HL)]4+4 and molecular rectangle [Cu2Cl2L]2 {H2L _ bis[phenyl(2-pyridyl)methanone] thiocarbazone}","author":"He","year":"2000","journal-title":"J. Chem. Soc.Dalton Trans."},{"key":"10.1016\/j.molstruc.2021.131125_bib0019","doi-asserted-by":"crossref","first-page":"123","DOI":"10.1016\/S0162-0134(99)00045-8","article-title":"Antimicrobial and mutagenic activity of some carbono- and thiocarbonohydrazone ligands and their copper(II), iron(II) and zinc(II) complexes","volume":"75","author":"Bacchi","year":"1999","journal-title":"J. Inorg. Biochem."},{"key":"10.1016\/j.molstruc.2021.131125_bib0020","doi-asserted-by":"crossref","first-page":"474","DOI":"10.1016\/j.saa.2008.10.030","article-title":"Preparation, magnetic and EPR spectral studies of copper(II) complexes of an anticancer drug analogue","volume":"72","author":"Manoj","year":"2009","journal-title":"Spectrochim. Acta Part A"},{"key":"10.1016\/j.molstruc.2021.131125_bib0021","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1107\/S2053229614024218","article-title":"Crystal structure refinement with SHELXL","volume":"71","author":"Sheldrick","year":"2015","journal-title":"Acta Crystallogr. C"},{"key":"10.1016\/j.molstruc.2021.131125_bib0022","doi-asserted-by":"crossref","first-page":"849","DOI":"10.1107\/S0021889812029111","article-title":"WinGX and ORTEP for windows: an update","volume":"45","author":"Farrugia","year":"2012","journal-title":"J. Appl. Crystallogr."},{"key":"10.1016\/j.molstruc.2021.131125_bib0023","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1107\/S0021889802022112","article-title":"Single-crystal structure validation with the program PLATON","volume":"36","author":"Spek","year":"2003","journal-title":"J. Appl. Crystallogr."},{"key":"10.1016\/j.molstruc.2021.131125_bib0024","doi-asserted-by":"crossref","first-page":"453","DOI":"10.1107\/S002188980600731X","article-title":"Mercury: visualization and analysis of crystal structures","volume":"39","author":"Macrae","year":"2006","journal-title":"J. Appl. Crystallogr."},{"key":"10.1016\/j.molstruc.2021.131125_bib0025","unstructured":"K. Brandenburg, Diamond version 3.2k, Crystal Impact GbR, Bonn, Germany (2014), http:\/\/www.crystalimpact.com\/diamond."},{"key":"10.1016\/j.molstruc.2021.131125_bib0026","series-title":"Gaussian 09, Revision A.1","author":"Frisch","year":"2009"},{"key":"10.1016\/j.molstruc.2021.131125_bib0027","unstructured":"R. Dennington, T. Keith, J. Millam, GaussView, Version 5, Semichem Inc., Shawnee Mission, KS, (2009)."},{"key":"10.1016\/j.molstruc.2021.131125_bib0028","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","article-title":"Density-functional thermochemistry. III. The role of exact exchange","volume":"98","author":"Becke","year":"1993","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.molstruc.2021.131125_bib0029","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","article-title":"Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density","volume":"37","author":"Lee","year":"1988","journal-title":"Phys. Rev. B"},{"key":"10.1016\/j.molstruc.2021.131125_bib0030","doi-asserted-by":"crossref","DOI":"10.1063\/1.2173258","article-title":"Geometries and properties of excited states in the gas phase and in solution: theory and application of a time-dependent density functional theory polarizable continuum model","volume":"124","author":"Scalmani","year":"2006","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.molstruc.2021.131125_bib0031","doi-asserted-by":"crossref","first-page":"669","DOI":"10.1002\/jcc.10189","article-title":"Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model","volume":"24","author":"Cossi","year":"2003","journal-title":"J. Comp. Chem."},{"key":"10.1016\/j.molstruc.2021.131125_bib0032","doi-asserted-by":"crossref","first-page":"2785","DOI":"10.1002\/jcc.21256","article-title":"AutoDock4 and AutoDockTools4: automated docking with selective receptor flexibility","volume":"30","author":"Morris","year":"2009","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.molstruc.2021.131125_bib0033","doi-asserted-by":"crossref","first-page":"2179","DOI":"10.1073\/pnas.78.4.2179","volume":"78","author":"Drewt","year":"1981","journal-title":"Proc. Nati. Acad. Sci. USA"},{"key":"10.1016\/j.molstruc.2021.131125_bib0034","doi-asserted-by":"crossref","first-page":"289","DOI":"10.1038\/s41586-020-2223-y","article-title":"Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors","volume":"582","author":"Jin","year":"2020","journal-title":"Nature"},{"key":"10.1016\/j.molstruc.2021.131125_bib0035","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1093\/nar\/28.1.235","article-title":"The protein data bank","volume":"28","author":"Berman","year":"2000","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.molstruc.2021.131125_bib0036","doi-asserted-by":"crossref","first-page":"3318","DOI":"10.1016\/j.poly.2010.09.007","article-title":"Mn(II) complexes of some acylhydrazones with NNO donor sites: syntheses, a spectroscopic view on their coordination possibilities and crystal structures","volume":"29","author":"Mangalam","year":"2010","journal-title":"Polyhedron"},{"key":"10.1016\/j.molstruc.2021.131125_bib0037","doi-asserted-by":"crossref","first-page":"585","DOI":"10.1016\/j.saa.2009.11.022","article-title":"Synthesis and spectral investigations of Mn(II) complexes of pentadentate bis(thiosemicarbazones)","volume":"75","author":"Krishnan","year":"2010","journal-title":"Spectrochim. Acta A"},{"key":"10.1016\/j.molstruc.2021.131125_bib0038","doi-asserted-by":"crossref","first-page":"1349","DOI":"10.1039\/DT9840001349","article-title":"Synthesis, structure, and spectroscopic properties of copper(II) compounds containing nitrogen\u2013sulphur donor ligands; the crystal and molecular structure of aqua[1,7-bis(N-methylbenzimidazol-2\u2032-yl)-2,6-dithiaheptane]copper(II) perchlorate","author":"Addison","year":"1984","journal-title":"J. Chem. Soc. Dalton Trans."},{"key":"10.1016\/j.molstruc.2021.131125_bib0039","doi-asserted-by":"crossref","first-page":"157","DOI":"10.1007\/s10870-007-9267-9","article-title":"Synthesis and spectral studies of bisthiocarbohydrazone and biscarbohydrazone of quinoline-2-carbaldehyde: crystal structure of bis(quinoline-2-aldehyde) thiocarbohydrazone","volume":"38","author":"Manoj","year":"2008","journal-title":"J. Chem. Crystallogr."},{"key":"10.1016\/j.molstruc.2021.131125_bib0040","doi-asserted-by":"crossref","first-page":"3294","DOI":"10.1016\/j.poly.2008.07.028","article-title":"Structural and spectral studies on manganese(II) complexes of di-2-pyridyl ketone N(4)-methyl and N(4)-ethyl thiosemicarbazones","volume":"27","author":"Renjusha","year":"2008","journal-title":"Polyhedron"},{"key":"10.1016\/j.molstruc.2021.131125_bib0041","doi-asserted-by":"crossref","first-page":"1408","DOI":"10.1016\/j.poly.2005.10.004","article-title":"Formation of manganese(II) complexes of substituted thiosemicarbazones derived from 2-benzoylpyridine: structural and spectroscopic studies","volume":"25","author":"Sreekanth","year":"2006","journal-title":"Polyhedron"},{"key":"10.1016\/j.molstruc.2021.131125_bib0042","doi-asserted-by":"crossref","first-page":"5088","DOI":"10.1016\/j.poly.2007.07.028","article-title":"Syntheses and EPR spectral studies of manganese(II) complexes derived from pyridine-2-carbaldehyde based N(4)-substituted thiosemicarbazones: crystal structure of one complex","volume":"26","author":"Rapheal","year":"2007","journal-title":"Polyhedron"},{"key":"10.1016\/j.molstruc.2021.131125_bib0043","doi-asserted-by":"crossref","first-page":"1939","DOI":"10.1016\/j.poly.2010.03.005","article-title":"Ni(II) and Mn(II) complexes of NNS tridentate ligand N0-[(2-methoxyphenyl)carbonothioyl]pyridine-2-carbohydrazide (H2mcph): synthesis, spectral and structural characterization","volume":"29","author":"Singh","year":"2010","journal-title":"Polyhedron"},{"key":"10.1016\/j.molstruc.2021.131125_bib0044","volume":"17","author":"Turner","year":"2017"},{"key":"10.1016\/j.molstruc.2021.131125_bib0045","doi-asserted-by":"crossref","first-page":"378","DOI":"10.1039\/B203191B","article-title":"Fingerprinting intermolecular interactions in molecular crystals","volume":"4","author":"Spackman","year":"2002","journal-title":"Cryst. Eng. Comm."},{"key":"10.1016\/j.molstruc.2021.131125_bib0046","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1039\/B818330A","article-title":"Hirshfeld surface analysis","volume":"11","author":"Spackman","year":"2009","journal-title":"Cryst. Eng. Comm."},{"key":"10.1016\/j.molstruc.2021.131125_bib0047","doi-asserted-by":"crossref","first-page":"104","DOI":"10.1016\/S0031-8914(34)90011-2","article-title":"\u00dcber die zuordnung von wellenfunktionen und eigenwerten zu den einzelnen elektronen eines atoms","volume":"1","author":"Koopmans T.","year":"1934","journal-title":"Physica"},{"key":"10.1016\/j.molstruc.2021.131125_bib0048","doi-asserted-by":"crossref","first-page":"153","DOI":"10.1002\/wcms.19","article-title":"The electrostatic potential: an overview","volume":"1","author":"Murray","year":"2011","journal-title":"WIREs Comput. Mol. Sci."},{"key":"10.1016\/j.molstruc.2021.131125_bib0049","doi-asserted-by":"crossref","first-page":"959","DOI":"10.1002\/(SICI)1097-461X(1996)57:5<959::AID-QUA16>3.0.CO;2-S","article-title":"DNA base amino groups and their role in molecular interactions: ab initio and preliminary density functional theory calculations","volume":"57","author":"Sponer","year":"1996","journal-title":"Int. J. Quantum Chem."},{"key":"10.1016\/j.molstruc.2021.131125_bib0050","doi-asserted-by":"crossref","first-page":"134","DOI":"10.1007\/s00214-002-0363-9","article-title":"The fundamental nature and role of the electrostatic potential in atoms and molecules","volume":"108","author":"Politzer","year":"2002","journal-title":"Theor. Chem. Acc."},{"key":"10.1016\/j.molstruc.2021.131125_bib0051","doi-asserted-by":"crossref","first-page":"153","DOI":"10.1002\/wcms.19","article-title":"The electrostatic potential: an overview","volume":"1","author":"Murray","year":"2011","journal-title":"WIREs Comput. Mol. Sci."},{"key":"10.1016\/j.molstruc.2021.131125_bib0052","doi-asserted-by":"crossref","first-page":"e6056","DOI":"10.1002\/aoc.6056","article-title":"In vitro biomolecular interaction studies and cytotoxic activities of copper(II) and zinc(II) complexes bearing ONS donor thiosemicarbazones","volume":"35","author":"Mathews","year":"2020","journal-title":"Appl. Organometal. Chem."},{"key":"10.1016\/j.molstruc.2021.131125_bib0053","doi-asserted-by":"crossref","first-page":"6534","DOI":"10.1038\/s41598-020-63605-4","article-title":"Synthesis, cytotoxicity, pharmacokinetic profile, binding with DNA and BSA of new imidazo[1,2-a]pyrazine-benzo[dmidazole-5-yl hybrids","volume":"10","author":"Singh","year":"2020","journal-title":"Sci. Rep."}],"container-title":["Journal of Molecular Structure"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0022286021012552?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0022286021012552?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,11,9]],"date-time":"2025-11-09T06:55:56Z","timestamp":1762671356000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0022286021012552"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,12]]},"references-count":53,"alternative-id":["S0022286021012552"],"URL":"https:\/\/doi.org\/10.1016\/j.molstruc.2021.131125","relation":{},"ISSN":["0022-2860"],"issn-type":[{"value":"0022-2860","type":"print"}],"subject":[],"published":{"date-parts":[[2021,12]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"A novel manganese(II) bisthiocarbohydrazone complex: Crystal structures, Hirshfeld surface analysis, DFT and molecular docking study with SARS-CoV-2","name":"articletitle","label":"Article Title"},{"value":"Journal of Molecular Structure","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.molstruc.2021.131125","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2021 Elsevier B.V. All rights reserved.","name":"copyright","label":"Copyright"}],"article-number":"131125"}}