Crystallography Open Database
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Result: there are 13462 entries in the selection
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Searching year of publication is 2021
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1567272 | CIF | D2 O | A 1 2/a 1 | 9.19256; 7.52147; 10.31017 90; 109.317; 90 | 672.728 | Salzmann, C. G.; Rosu-Finsen, A.; Sharif, Z.; Radaelli, P.G.; Finney, J. L. Detailed crystallographic analysis of the ice V to ice XIII hydrogen-ordering phase transition The Journal of Chemical Physics, 2021, 154, 134504 |
1564544 | CIF | C4 H4 B K O12 | A e a 2 | 11.0579; 11.1695; 9.0504 90; 90; 90 | 1117.83 | TOMBUL, Mustafa; TÜRKMENOGLU, Elmas; SAHIN, Onur Unprecedented Formation of Potassium Borate Based Carbonate from Chloral Hydrate, Potassium Carbonate and Boric Acid X-ray Structure Analysis Online, 2021, 37, 45-47 |
1565426 | CIF | C16 H22 B9 N O | A e a 2 | 12.6535; 21.2265; 15.7104 90; 90; 90 | 4219.6 | Cao, Hou-Ji; Wei, Xing; Sun, Fangxiang; Zhang, Xiaolei; Lu, Changsheng; Yan, Hong Metal-catalyzed B–H acylmethylation of pyridylcarboranes: access to carborane-fused indoliziniums and quinoliziniums Chemical Science, 2021 |
2243731 | CIF HKL Paper | C26 H22 Cd N8 O4 | A e a 2 | 12.6654; 17.6394; 10.888 90; 90; 90 | 2432.49 | Yang, Ping; Xie, Xiao-Bao; Shi, Qing-Shan Crystal structure of bis{2-hydroxy-<i>N</i>'-[1-(pyrazin-2-yl)ethylidene]benzohydrazidato}cadmium(II) Acta Crystallographica Section E, 2021, 77, 153-157 |
4004025 | CIF | Hg3 P2 S8 | A e a 2 | 16.52; 8.223; 9.293 90; 90; 90 | 1262 | Chu, Yu; Wang, Peng; Zeng, Hao; Cheng, Shichao; Su, Xin; Yang, Zhihua; Li, Junjie; Pan, Shilie Hg3P2S8: A New Promising Infrared Nonlinear Optical Material with a Large Second-Harmonic Generation and a High Laser-Induced Damage Threshold Chemistry of Materials, 2021, 33, 6514-6521 |
4518923 | CIF | Hg3 P2 S8 | A e a 2 | 16.3786; 8.1613; 9.2723 90; 90; 90 | 1239.43 | Xing, Wenhao; Liang, Fei; Tang, Chunlan; Uykur, Ece; Lin, Zheshuai; Yao, Jiyong; Yin, Wenlong; Kang, Bin Highly Distorted [HgS<sub>4</sub>] Motif-Driven Structural Symmetry Degradation and Strengthened Second-Harmonic Generation Response in the Defect Diamond-Like Chalcogenide Hg<sub>3</sub>P<sub>2</sub>S<sub>8</sub>. ACS applied materials & interfaces, 2021 |
7127827 | CIF | C19 H15 N | A e a 2 | 16.7467; 21.6002; 7.8088 90; 90; 90 | 2824.69 | Qi, Zhi-Chao; Lou, Qin-Xin; Niu, Yuan; Yang, Shang-Dong Temporary (P[double bond, length as m-dash]O) directing group enabled carbazole ortho arylation via palladium catalysis. Chemical communications (Cambridge, England), 2021, 57, 2021-2024 |
7158112 | CIF | C10 H16 F5 N O4 S | A e a 2 | 13.4208; 26.557; 8.6349 90; 90; 90 | 3077.6 | Dudziński, Piotr; Husstedt, Wibke S.; Matsnev, Andrej V.; Thrasher, Joseph S.; Haufe, Günter Synthesis and [3,3]-sigmatropic rearrangements of 5-(pentafluorosulfanyl)-pent-3-en-2-ol, its homologues, and trifluoromethyl analogues. Organic & biomolecular chemistry, 2021, 19, 5607-5623 |
7243091 | CIF | B5 H12 N O12 | A e a 2 | 11.3246; 11.0147; 9.1513 90; 90; 90 | 1141.51 | Kusy, Rafał; Grela, Karol Ligand-free (Z)-selective transfer semihydrogenation of alkynes catalyzed by in situ generated oxidizable copper nanoparticles Green Chemistry, 2021, 23, 5494-5502 |
7243326 | CIF | C18 H12 F4 I2 N2 | A e a 2 | 13.1529; 18.502; 15.239 90; 90; 90 | 3708.5 | Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106 |
7243506 | CIF | C44 H56 N9 O9 Zn2 | A e a 2 | 26.205; 25.903; 14.652 90; 90; 90 | 9946 | Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik Synthesis and characterization of a mononuclear zinc(ii) Schiff base complex: on the importance of C‒H⋯π interactions RSC Advances, 2021, 11, 30148-30155 |
7707082 | CIF | La P3 Si | A e a 2 | 5.965; 25.2125; 5.8168 90; 90; 90 | 874.8 | Akopov, Georgiy; Mark, Justin; Viswanathan, Gayatri; Lee, Shannon J.; McBride, Brennan C.; Won, Juyeon; Perras, Frédéric A; Paterson, Alexander L.; Yuan, Bing; Sen, Sabyasachi; Adeyemi, Adedoyin N.; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Miller, Gordon J.; Kovnir, Kirill Third time's the charm: intricate non-centrosymmetric polymorphism in <i>Ln</i>SiP<sub>3</sub> (<i>Ln</i> = La and Ce) induced by distortions of phosphorus square layers. Dalton transactions (Cambridge, England : 2003), 2021, 50, 6463-6476 |
7707085 | CIF | Ce P3 Si | A e a 2 | 5.8961; 25.0987; 5.7747 90; 90; 90 | 854.57 | Akopov, Georgiy; Mark, Justin; Viswanathan, Gayatri; Lee, Shannon J.; McBride, Brennan C.; Won, Juyeon; Perras, Frédéric A; Paterson, Alexander L.; Yuan, Bing; Sen, Sabyasachi; Adeyemi, Adedoyin N.; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Miller, Gordon J.; Kovnir, Kirill Third time's the charm: intricate non-centrosymmetric polymorphism in <i>Ln</i>SiP<sub>3</sub> (<i>Ln</i> = La and Ce) induced by distortions of phosphorus square layers. Dalton transactions (Cambridge, England : 2003), 2021, 50, 6463-6476 |
7707327 | CIF | C56 H51 Au3 N3 P3 | A e a 2 | 36.692; 21.4267; 13.825 90; 90; 90 | 10869.1 | Ferrer, Montserrat; Gutiérrez, Albert; Martínez, Manuel; Da Silva, Cristiana; Netto, Adelino V. G.; Rodríguez, Laura; Romo-Islas, Guillermo; Pan, Fangfang; Rissanen, Kari Base-assisted synthesis of 4-pyridinate gold(I) metallaligands: a study of their use in self-assembly reactions. Dalton transactions (Cambridge, England : 2003), 2021, 50, 8154-8166 |
7707539 | CIF | C40 H36 N2 O4 P2 Zn | A e a 2 | 26.0998; 17.2345; 7.9957 90; 90; 90 | 3596.6 | Yadav, Ravi; Dahlen, Milena; Singh, Akhil K.; Sun, Xiaofei; Gamer, Michael T.; Roesky, Peter W. Nonanuclear zinc-gold [Zn<sub>3</sub>Au<sub>6</sub>] heterobimetallic complexes. Dalton transactions (Cambridge, England : 2003), 2021, 50, 8558-8566 |
7708252 | CIF | C8 H20 N2 O2 Sn | A e a 2 | 11.8081; 10.1306; 10.0735 90; 90; 90 | 1205.02 | Johnson, Andrew Lee; Paish, James David; Snook, Michael Evaluation of Sn(II) Aminoalkoxide Precursors for Atomic Layer Deposition of SnO Thin Films. Invitation: Dalton Transactions web collection themed around the topic of tin chemistry Dalton Transactions, 2021 |
8104589 | CIF | C20 H28 N6 O3 | A e a 2 | 19.9676; 8.4674; 12.4082 90; 90; 90 | 2097.9 | Setshedi, Itumeleng B.; Lemmerer, Andreas; Smith, Mark G. The crystal structure of (E)-N′-(butan-2-ylidene)isonicotinohydrazide 0.5 hydrate C10H13N3O·0.5H2O Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1295-1296 |
2243832 | CIF HKL Paper | C6 H5 N O4 | A e m 2 | 10.2045; 6.1282; 9.7293 90; 90; 90 | 608.42 | Behrman, Edward J.; Parkin, Sean Synthesis and crystal structures of 3,6-dihydroxypicolinic acid and its labile intermediate dipotassium 3-hydroxy-6-(sulfonatooxy)pyridine-2-carboxylate monohydrate Acta Crystallographica Section E, 2021, 77, 623-628 |
7706027 | CIF | C27 H21 Cl F6 N5 Ni O2 P | A e m 2 | 8.6326; 22.3707; 16.5568 90; 90; 90 | 3197.4 | Boniolo, Manuel; Chernev, Petko; Cheah, Mun Hon; Heizmann, Philipp A.; Huang, Ping; Shylin, Sergii I.; Salhi, Nessima; Hossain, Md Kamal; Gupta, Arvind K.; Messinger, Johannes; Thapper, Anders; Lundberg, Marcus Electronic and geometric structure effects on one-electron oxidation of first-row transition metals in the same ligand framework. Dalton transactions (Cambridge, England : 2003), 2021, 50, 660-674 |
2108891 | CIF | C6 H12 N3 O3 | A m a 2 | 12.1054; 13.5537; 5.20741 90; 90; 90 | 854.4 | Gallo, Gianpiero; Terban, Maxwell W.; Moudrakovski, Igor; Huber, Tatjana; Etter, Martin; Ernst, Martin; Hinrichsen, Bernd; Dinnebier, Robert E. A previously unknown cyclic alkanolamine and molecular ranking using the pair distribution function Acta Crystallographica Section B, 2021, 77, 986-995 |
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