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Microcrystal electron diffraction (microED), with it's increased sensitivity toward hydrogen atoms relative to X\u2010ray diffraction, offers a potential path to addressing this challenge. Herein, the first microED study of Stryker's reagent is reported, resulting in the structure of a new benzene solvate. Improved accuracy for hydrogen atom positions was obtained via a quantum crystallography (QCr) approach, Hirshfeld atom refinement (HAR). Structural and topological analysis supports edge bridging hydrides in the microED structure of a THF solvate form, consistent with previous diffraction studies. Interestingly, analysis of a new benzene solvate, discovered in this study, is consistent with mixed edge\u2010 and face\u2010bridging hydrides.<\/jats:p>","DOI":"10.1002\/anie.202502524","type":"journal-article","created":{"date-parts":[[2025,5,5]],"date-time":"2025-05-05T22:24:36Z","timestamp":1746483876000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Comparative Study of Solvatomorphs of Stryker's Reagent Using MicroED and Quantum Mechanics"],"prefix":"10.1002","volume":"64","author":[{"given":"Kunal K.","family":"Jha","sequence":"first","affiliation":[{"name":"Division of Chemistry &amp; Chemical Engineering California Institute of Technology  Pasadena CA 91125 USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jacob O.","family":"Rothbaum","sequence":"additional","affiliation":[{"name":"Division of Chemistry &amp; Chemical Engineering California Institute of Technology  Pasadena CA 91125 USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Vignesh C.","family":"Bhethanabotla","sequence":"additional","affiliation":[{"name":"Division of Chemistry &amp; Chemical Engineering California Institute of Technology  Pasadena CA 91125 USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"suffix":"III","given":"Charles B.","family":"Musgrave","sequence":"additional","affiliation":[{"name":"Division of Applied Physics and Material Science California Institute of Technology  Pasadena CA 91125 USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Christopher G.","family":"Jones","sequence":"additional","affiliation":[{"name":"Division of Chemistry &amp; Chemical Engineering California Institute of Technology  Pasadena CA 91125 USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sergey I.","family":"Morozov","sequence":"additional","affiliation":[{"name":"Department of Physics of Nanoscale Systems South Ural State University  Chelyabinsk 454080 Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"suffix":"III","given":"William A.","family":"Goddard","sequence":"additional","affiliation":[{"name":"Division of Chemistry &amp; Chemical Engineering California Institute of Technology  Pasadena CA 91125 USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4666-2793","authenticated-orcid":false,"given":"Hosea M.","family":"Nelson","sequence":"additional","affiliation":[{"name":"Division of Chemistry &amp; Chemical Engineering California Institute of Technology  Pasadena CA 91125 USA"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2025,5,22]]},"reference":[{"key":"e_1_2_6_1_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja00737a045"},{"key":"e_1_2_6_2_1","doi-asserted-by":"publisher","DOI":"10.1021\/ic50114a015"},{"key":"e_1_2_6_3_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja00209a048"},{"key":"e_1_2_6_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0040-4039(00)82105-X"},{"key":"e_1_2_6_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0040-4039(00)76168-5"},{"key":"e_1_2_6_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0040-4039(00)89032-2"},{"key":"e_1_2_6_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0040-4020(00)00133-2"},{"key":"e_1_2_6_8_1","doi-asserted-by":"publisher","DOI":"10.1039\/b407842j"},{"key":"e_1_2_6_9_1","doi-asserted-by":"publisher","DOI":"10.1055\/s-2005-869851"},{"key":"e_1_2_6_10_1","doi-asserted-by":"publisher","DOI":"10.1021\/jo00043a036"},{"key":"e_1_2_6_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0040-4039(01)00638-4"},{"key":"e_1_2_6_12_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.5b02574"},{"key":"e_1_2_6_13_1","doi-asserted-by":"publisher","DOI":"10.1055\/s-0035-1561586"},{"key":"e_1_2_6_14_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja00311a098"},{"key":"e_1_2_6_15_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0020-1693(00)82410-X"},{"key":"e_1_2_6_16_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja00191a077"},{"key":"e_1_2_6_17_1","doi-asserted-by":"publisher","DOI":"10.1021\/ic402736t"},{"key":"e_1_2_6_18_1","doi-asserted-by":"publisher","DOI":"10.1039\/C3CE42070A"},{"key":"e_1_2_6_19_1","doi-asserted-by":"publisher","DOI":"10.1093\/acprof:oso\/9780198570769.001.0001"},{"key":"e_1_2_6_20_1","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.8b00760"},{"key":"e_1_2_6_21_1","volume":"6","author":"Clabbers M. 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