{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,30]],"date-time":"2026-07-30T15:01:27Z","timestamp":1785423687470,"version":"3.56.0"},"reference-count":38,"publisher":"International Union of Crystallography (IUCr)","issue":"6","license":[{"start":{"date-parts":[[2023,10,11]],"date-time":"2023-10-11T00:00:00Z","timestamp":1696982400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2023,10,11]],"date-time":"2023-10-11T00:00:00Z","timestamp":1696982400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"}],"funder":[{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/K03930X\/1"],"award-info":[{"award-number":["EP\/K03930X\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100010049","name":"Kingston University","doi-asserted-by":"publisher","award":["P1305-103"],"award-info":[{"award-number":["P1305-103"]}],"id":[{"id":"10.13039\/100010049","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["IUCrJ","IUCr J","Int Union Crystallogr J","Int Union Cryst J"],"accepted":{"date-parts":[[2023,9,18]]},"published-print":{"date-parts":[[2023,11,1]]},"abstract":"<jats:p>\n                    Multi-grain crystallography, traditionally performed at synchrotron sources in association with high-pressure studies, has new relevance with respect to laboratory single-crystal X-ray diffraction, in which crystals can be grown rapidly\n                    <jats:italic>in situ<\/jats:italic>\n                    , and a preliminary dataset analysed and solved in a matter of minutes. Subsequently, a full-sphere of IUCr-quality data can then be collected in a few hours. To demonstrate the applicability of laboratory multi-grain crystallography with Cu\n                    <jats:italic>K<\/jats:italic>\n                    \u03b1 X-rays, co-crystals of hexafluorobenzene and pyrrole were grown rapidly by cooling a 1:1 liquid mixture in an X-ray capillary on the diffractometer. The software is able to identify a single unit cell from as few as 10% of the diffraction spots from a small number of diffraction frames. Once a unit cell is identified, a full crystal structure solution is rapidly obtained by collecting a small amount of data to a resolution of\n                    <jats:italic>ca<\/jats:italic>\n                    1\u2005\u00c5. The co-crystal obtained from the 1:1 mixture showed that hexafluorobenzene and pyrrole crystallize in a 3:4 ratio, in contrast to the columnar 1:1 adduct structures typified by hexafluorobenzene and benzene. The generality of our multi-grain approach for samples that are liquid at room temperature (and form a polycrystalline solid mass on cooling) is further demonstrated by investigating and solving the 1:1 co-crystal formed between hexafluorobenzene and pyridine.\n                  <\/jats:p>","DOI":"10.1107\/s2052252523008163","type":"journal-article","created":{"date-parts":[[2023,9,20]],"date-time":"2023-09-20T04:55:31Z","timestamp":1695185731000},"page":"720-728","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":6,"title":["Single-crystal quality data from polycrystalline samples: finding the needle in the haystack"],"prefix":"10.1107","volume":"10","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-6504-4723","authenticated-orcid":true,"given":"Joseph Charles","family":"Bear","sequence":"first","affiliation":[{"id":[{"id":"https:\/\/ror.org\/05bbqza97","id-type":"ROR","asserted-by":"publisher"}],"department":["School of Life Sciences, Pharmacy and Chemistry"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nikitas","family":"Terzoudis","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/05bbqza97","id-type":"ROR","asserted-by":"publisher"}],"department":["School of Life Sciences, Pharmacy and Chemistry"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4954-651X","authenticated-orcid":true,"given":"Jeremy Karl","family":"Cockcroft","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/02jx3x895","id-type":"ROR","asserted-by":"publisher"}],"department":["Department of Chemistry"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2023,10,11]]},"reference":[{"key":"lt5060_bb1","doi-asserted-by":"crossref","first-page":"1383","DOI":"10.1107\/S1600576722008081","volume":"55","author":"Aslandukov","year":"2022","journal-title":"J. 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