Crystallography Open Database

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Searching space group like 'A e a 2'

COD ID: 1539126
CIF file	Formula: - F5 H4 Na2 Nb O4 - Comments: Stomberg, R. The crystal structure of sodium pentafluoroperoxoniobate (V) dihydrate, Na2 (Nb F5 (O2)) (H2 O)2 Acta Chemica Scandinavica, Series A: (28,1974-) 35 (1981) 489-495 Space group: A e a 2 Cell volume: 732.648 Cell parameters: 10.361; 10.263; 6.89; 90; 90; 90;

COD ID: 1541172
CIF file	Formula: - Br3 H Hg O2 Pb2 - Comments: Riebe, H.J.; Keller, H.L. Darstellung und Kristallstruktur von Hg Pb2 O (O H) Br3 Zeitschrift fuer Anorganische und Allgemeine Chemie 574 (1989) 191-198 Space group: A e a 2 Cell volume: 1670.32 Cell parameters: 14.652; 14.6491; 7.782; 90; 90; 90;

COD ID: 1548079
CIF file	Formula: - C68 H90 O12 P4 Zn11 - Comments: Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles Nature Communications 7 (2016) 13008 Space group: A e a 2 Cell volume: 15462.1 Cell parameters: 27.6082; 23.0173; 24.3319; 90; 90; 90;

COD ID: 1552047

CIF file

Formula: - C88 H56 Fe2 N9 -
Comments: Evgeny V. Kudrik; Pavel Afanasiev; Leonardo X. Alvarez; Patrick Dubourdeaux; Martin Clemancey; Jean-Marc Latour; Genevieve Blondin; Denis Bouchu; Florian Albrieux; Sergey E. Nefedov; Alexander B. Sorokin An N-bridged high-valent diiron-oxo species on a porphyrin platform that can oxidize methane Nature Chemistry 4 (2012) 1024-1029
Space group: A e a 2
Cell volume: 6548.3
Cell parameters: 17.3865; 25.0127; 15.0576; 90; 90; 90;

COD ID: 1553642
CIF file	Formula: - C18 H19 N3 - Comments: Zhang, Yun; Xue, Yibin; Li, Gang; Yuan, Haosen; Luo, Tuoping Enantioselective synthesis of <i>Iboga</i> alkaloids and vinblastine <i>via</i> rearrangements of quaternary ammoniums. Chemical science 7(8) (2016) 5530-5536 Space group: A e a 2 Cell volume: 5763.2 Cell parameters: 12.2491; 35.949; 13.088; 90; 90; 90;

COD ID: 1554492
CIF file	Formula: - C70 H56 Ag5 Cl2 N6 P4 - Comments: Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives Organic Chemistry Frontiers 6(4) (2019) 426 Space group: A e a 2 Cell volume: 17699 Cell parameters: 27.38; 26.9; 24.03; 90; 90; 90;

COD ID: 1556254
CIF file	Formula: - C16 H30 O3 Si2 - Comments: Bender, Tobias; Loits, Darran; White, Jonathan M.; Rizzacasa, Mark A. Synthesis of the C1-C18 fragment of rhizopodin: late-state introduction of the oxazole. Organic letters 16(5) (2014) 1450-1453 Space group: A e a 2 Cell volume: 3926.24 Cell parameters: 30.9982; 11.381; 11.1291; 90; 90; 90;

COD ID: 1556859

CIF file

Formula: - C15 H16 N2 O2 -
Comments: Wen, Jin; Turowski, Michał; Dron, Paul I.; Chalupský, Jakub; Grotjahn, Robin; Maier, Toni M.; Fatur, Steven M.; Havlas, Zdeněk; Johnson, Justin C.; Kaupp, Martin; Michl, Josef Electronic States of 2,3-Diamino-1,4-naphthoquinone and Its N-Alkylated Derivatives The Journal of Physical Chemistry C (2019)
Space group: A e a 2
Cell volume: 2534.9
Cell parameters: 11.4176; 13.5604; 16.3722; 90; 90; 90;

COD ID: 1558646
CIF file	Formula: - C45.5 H56 Al F3 N2 - Comments: Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity Chemical Science (2020) Space group: A e a 2 Cell volume: 8234 Cell parameters: 25.104; 18.4374; 17.7897; 90; 90; 90;

COD ID: 1559826

CIF file

Formula: - C104 H100 Ag2 B2 N8 -
Comments: Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes. Chemical science 12(6) (2020) 2165-2171
Space group: A e a 2
Cell volume: 9819.3
Cell parameters: 8.9095; 41.3302; 26.6661; 90; 90; 90;

COD ID: 1560680
CIF file	Formula: - Ga S9 Sb Y4 - Comments: Wang, Yue; Zou, Xiaochuan; Feng, Xia; Shi, Yongfang; Wu, Liming Quaternary non-centrosymmetric sulfide Y 4 GaSbS 9 : Syntheses, structures, optical properties and theoretical studies Journal of Solid State Chemistry 245 (2017) 110-114 Space group: A e a 2 Cell volume: 2600.6 Cell parameters: 13.48; 13.79; 13.99; 90; 90; 90;

COD ID: 1561546
CIF file	Formula: - Ce4 Ga S9 Sb - Comments: Zhao, Hua-Jun Centrosymmetry vs noncentrosymmetry in La2Ga0.33SbS5 and Ce4GaSbS9 based on the interesting size effects of lanthanides: Syntheses, crystal structures, and optical properties Journal of Solid State Chemistry 237 (2016) 99-104 Space group: A e a 2 Cell volume: 2861 Cell parameters: 13.8834; 14.3004; 14.4102; 90; 90; 90;

COD ID: 1561617

CIF file

Formula: - C20 H19 Cd1.5 N4 O10 S -
Comments: Ren, Yixia; Chai, Hongmei; Tang, Long; Hou, Xiangyang; Wang, Jijiang Structural diversity and fluorescence properties of three 2-sulfoterephthalate CdII/ZnII coordination polymers employing 1,4-bisbenzimidazole Journal of Solid State Chemistry 234 (2016) 103-109
Space group: A e a 2
Cell volume: 4949.5
Cell parameters: 14.373; 38.22; 9.0099; 90; 90; 90;

COD ID: 1561713
CIF file	Formula: - C32 H27 N O5 Zn - Comments: Li, Liang; Wang, Zihao; Chen, Qiang; Zhou, Xinhui; yang, Tao; Zhao, Qiang; Huang, Wei Coordination polymers assembled from semirigid fluorene-based ligand: A couple of enantiomers Journal of Solid State Chemistry 231 (2015) 47-52 Space group: A e a 2 Cell volume: 5303.5 Cell parameters: 15.6909; 43.795; 7.7177; 90; 90; 90;

COD ID: 1563936

CIF file

Formula: - C32 H22 N4 O4 Zn -
Comments: Bejan, Dana; Bahrin, Lucian Gabriel; Shova, Sergiu; Sardaru, Monica; Clima, Lilia; Nicolescu, Alina; Marangoci, Narcisa; Lozan, Vasile; Janiak, Christoph Spontaneous resolution of non-centrosymmetric coordination polymers of zinc(II) with achiral imidazole-biphenyl-carboxylate ligands Inorganica Chimica Acta 482 (2018) 275-283
Space group: A e a 2
Cell volume: 2633.9
Cell parameters: 15.9969; 21.6823; 7.5937; 90; 90; 90;

COD ID: 1563988

CIF file

Formula: - C40 H30 Cd N2 O4 -
Comments: Marandi, Farzin; Moeini, Keyvan; Alizadeh, Fereshteh; Mardani, Zahra; Quah, Ching Kheng; Loh, Wan-Sin; Woollins, J. Derek Treatment of cadmium(II) and zinc(II) with N2-donor linkages in presence of β-diketone ligand; supported by structural, spectral, theoretical and docking studies Inorganica Chimica Acta 482 (2018) 717-725
Space group: A e a 2
Cell volume: 3339.6
Cell parameters: 10.9938; 25.635; 11.8497; 90; 90; 90;

COD ID: 1564008

CIF file

Formula: - C36 H27 N12 O12 Zn2 -
Comments: Li, Ling; Deng, Zhao-Yang; Xie, Xin; Zou, Ji-Yong; You, Sheng-Yong; Chen, Kai-Hong; Le, Jin-Feng A luminescent zinc(II) coordination polymer as a highly selective and sensitive chemosensor for Fe(III) cation and Cr(VI) anions detection in aqueous solution Inorganica Chimica Acta 513 (2020) 119940
Space group: A e a 2
Cell volume: 9302
Cell parameters: 14.82; 32.601; 19.2529; 90; 90; 90;

COD ID: 1564544
CIF file	Formula: - C4 H4 B K O12 - Comments: 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 37 (2021) 45-47 Space group: A e a 2 Cell volume: 1117.83 Cell parameters: 11.0579; 11.1695; 9.0504; 90; 90; 90;

COD ID: 1565426
CIF file	Formula: - C16 H22 B9 N O - Comments: 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) Space group: A e a 2 Cell volume: 4219.6 Cell parameters: 12.6535; 21.2265; 15.7104; 90; 90; 90;

COD ID: 1565797

CIF file

Formula: - C42 H39 Cu N2 O11 -
Comments: Azmi, Nurul I.; Zhan, Shun-Ze; Li, Jing-Hong; Razali, Mohd. R. Metal complexes based on substituted aliphatic acid derived from a Diels-Alder adduct: Synthesis and potential ratiometric luminescent temperature sensor of d10 complex Inorganica Chimica Acta 498 (2019) 119167
Space group: A e a 2
Cell volume: 3731.9
Cell parameters: 11.1083; 39.2626; 8.5567; 90; 90; 90;

COD ID: 1566057

CIF file

Formula: - C20 H12 Co N Na O7 -
Comments: Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping Syntheses, structures, luminescence and CO2 gas adsorption properties of four three-dimensional heterobimetallic metal–organic frameworks Journal of Solid State Chemistry 305 (2022) 122672
Space group: A e a 2
Cell volume: 4243.9
Cell parameters: 27.1599; 26.0222; 6.0047; 90; 90; 90;

COD ID: 1566058

CIF file

Formula: - C20 H12 N Na Ni O7 -
Comments: Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping Syntheses, structures, luminescence and CO2 gas adsorption properties of four three-dimensional heterobimetallic metal–organic frameworks Journal of Solid State Chemistry 305 (2022) 122672
Space group: A e a 2
Cell volume: 4182.57
Cell parameters: 27.0821; 25.8325; 5.97853; 90; 90; 90;

COD ID: 2020381
CIF file	Formula: - B5 H8 O12 Rb - Comments: Behm, H. Rubidium Pentaborate Tetrahydrate, Rb (B5 O6 (O H)4) (H2 O)2 Acta Crystallographica C (39,1983-) 40 (1984) 217-220 Space group: A e a 2 Cell volume: 1156.54 Cell parameters: 11.302; 10.962; 9.335; 90; 90; 90;

COD ID: 2106226
CIF file	Formula: - C H3 Na2 O6 - Comments: Adams, J.M.; Pritchard, R.G. The crystal structure of sodium percarbonate: An unusual layered solid Acta Crystallographica B (24,1968-38,1982) 33 (1977) 3650-3653 Space group: A e a 2 Cell volume: 983.614 Cell parameters: 9.224; 15.805; 6.747; 90; 90; 90;

COD ID: 2243731

CIF file

HKL data

Original IUCr paper

Formula: - C26 H22 Cd N8 O4 -
Comments: Yang, Ping; Xie, Xiao-Bao; Shi, Qing-Shan Crystal structure of bis{2-hydroxy-N'-[1-(pyrazin-2-yl)ethylidene]benzohydrazidato}cadmium(II) Acta Crystallographica Section E 77(2) (2021) 153-157
Space group: A e a 2
Cell volume: 2432.49
Cell parameters: 12.6654; 17.6394; 10.888; 90; 90; 90;

COD ID: 2244196

CIF file

HKL data

Original IUCr paper

Formula: - C38 H38 Fe N12 O2 -
Comments: Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Malinkin, Sergey O.; Shova, Sergiu; Seredyuk, Maksym Crystal structure of bis{3-(3,4-dimethylphenyl)-5-[6-(1H-pyrazol-1-yl)pyridin-2-yl]-4H-1,2,4-triazol-4-ido}iron(II) methanol disolvate Acta Crystallographica Section E 78(11) (2022)
Space group: A e a 2
Cell volume: 3555.5
Cell parameters: 12.6854; 26.315; 10.6511; 90; 90; 90;

COD ID: 2311212
CIF file Original IUCr paper	Formula: - C12 H16 Cl2 N4 O4 S2 Zn - Comments: Benmebarek, Sabrina; Boudraa, Mhamed; Bouacida, Sofiane; Merazig, Hocine; Dénès, George Bis(4-amino-benzene-sulfonamide-κN (4))di-chlorido-zinc. Acta crystallographica. Section E, Structure reports online 70(Pt 1) (2014) m28-9 Space group: A e a 2 Cell volume: 1799.8 Cell parameters: 7.7957; 27.916; 8.2701; 90; 90; 90;

COD ID: 2311292
CIF file Original IUCr paper	Formula: - C7 H10 N O1.5 - Comments: Nguyen, Dalena M.; Desikan, Vasumathi; Golen, James A.; Manke, David R. Crystal structure of 2,6-dimethyl-4-pyridone hemihydrate. Acta crystallographica. Section E, Crystallographic communications 71(Pt 8) (2015) o533 Space group: A e a 2 Cell volume: 1387.3 Cell parameters: 12.4859; 14.3697; 7.732; 90; 90; 90;

COD ID: 2311312

CIF file

Formula: - C14 H13 N O3 -
Comments: Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Borges, Fernanda A comparison of the structures of some 2- and 3-substituted chromone derivatives: a structural study on the importance of the secondary carboxamide backbone for the inhibitory activity of MAO-B. Acta crystallographica. Section E, Crystallographic communications 71(Pt 11) (2015) 1270-1277
Space group: A e a 2
Cell volume: 2290.8
Cell parameters: 15.337; 21.94; 6.808; 90; 90; 90;

COD ID: 2311859
CIF file Original IUCr paper	Formula: - C17 H10 O S2 - Comments: Katzsch, Felix; Gruber, Tobias; Weber, Edwin Crystal structures of functional building blocks derived from bis(benzo[b]thiophen-2-yl)methane. Acta crystallographica. Section C, Structural chemistry 72(Pt 9) (2016) 679-684 Space group: A e a 2 Cell volume: 2645.13 Cell parameters: 18.2186; 20.0166; 7.2534; 90; 90; 90;

COD ID: 2311868

CIF file

Formula: - C28 H28 F6 Li N4 P -
Comments: Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J. Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C5H5N)LiPF6, [p-(CH2=CH)C5H4N]LiPF6, [(C5H5N)LiCl]n, and [p-(CH2=CH)C5H4N]2Li(μ-Cl)2Li[p-(CH2=CH)C5H4N]2. Acta crystallographica. Section C, Structural chemistry 73(Pt 3) (2017) 264-269
Space group: A e a 2
Cell volume: 5755.5
Cell parameters: 24.725; 14.7026; 15.8325; 90; 90; 90;

COD ID: 3500083
CIF file HKL data	Formula: - C24 H52 I N - Comments: Thierry Maris Tetrahexylammonium Iodide Personal communication to COD (2019) Space group: A e a 2 Cell volume: 2645.4 Cell parameters: 10.0773; 10.0124; 26.219; 90; 90; 90;

COD ID: 3500084
CIF file HKL data	Formula: - C28 H60 Br N - Comments: Thierry Maris Tetraheptylammonium bromide Personal communication to COD (2019) Space group: A e a 2 Cell volume: 3005.8 Cell parameters: 9.787; 9.7825; 31.3951; 90; 90; 90;

COD ID: 4003704

CIF file

Formula: - Ba F2 Mo2 O10 Se2 -
Comments: Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao Ba(MoO2F)2(QO3)2 (Q = Se, Te): Partial Fluorination of MoO6 Octahedra Enabling Two Polar Solids with Strong and Phase Matchable SHG Response Chemistry of Materials 32(22) (2020) 9688-9695
Space group: A e a 2
Cell volume: 990.48
Cell parameters: 12.3556; 11.0024; 7.2861; 90; 90; 90;

COD ID: 4003705

CIF file

Formula: - Ba F2 Mo2 O10 Te2 -
Comments: Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao Ba(MoO2F)2(QO3)2 (Q = Se, Te): Partial Fluorination of MoO6 Octahedra Enabling Two Polar Solids with Strong and Phase Matchable SHG Response Chemistry of Materials 32(22) (2020) 9688-9695
Space group: A e a 2
Cell volume: 1009.06
Cell parameters: 12.5605; 11.0264; 7.2858; 90; 90; 90;

COD ID: 4004025

CIF file

Formula: - Hg3 P2 S8 -
Comments: 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 33(16) (2021) 6514-6521
Space group: A e a 2
Cell volume: 1262
Cell parameters: 16.52; 8.223; 9.293; 90; 90; 90;

COD ID: 4021104
CIF file	Formula: - C18 H16 - Comments: Gon-Ann Lee; Chih-Yi Chang Novel Ene Trimerization of 1-Phenylcyclopropene Journal of Organic Chemistry 69 (2004) 8949-8951 Space group: A e a 2 Cell volume: 1378.2 Cell parameters: 10.625; 17.084; 7.5931; 90; 90; 90;

COD ID: 4033826

CIF file

Formula: - C17 H22 N2 O4 S2 -
Comments: Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J. Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane. The Journal of organic chemistry 84(17) (2019) 11091-11102
Space group: A e a 2
Cell volume: 1805.22
Cell parameters: 12.1657; 17.8449; 8.3153; 90; 90; 90;

COD ID: 4036001

CIF file

Formula: - C32 H20 Br2 O2 -
Comments: Gawade, Prashant M.; Khose, Vaibhav N.; Badani, Purav M.; Hasan, Mohammed; Kaabel, Sandra; Mobin, Shaikh M.; Borovkov, Victor; Karnik, Anil V. Benzyne-Mediated Nonconcerted Pathway toward Synthesis of Sterically Crowded [5]- and [7]Oxahelicenoids, Stereochemical and Theoretical Studies, and Optical Resolution of Helicenoids. The Journal of organic chemistry 84(2) (2019) 860-868
Space group: A e a 2
Cell volume: 2503.3
Cell parameters: 11.2662; 15.6756; 14.1746; 90; 90; 90;

COD ID: 4061840

CIF file

Formula: - C8 H20 N2 O2 Sn -
Comments: Zemlyansky, Nikolay N.; Borisova, Irina V.; Kuznetsova, Marianna G.; Khrustalev, Victor N.; Ustynyuk, Yuri A.; Nechaev, Mikhael S.; Lunin, Valery V.; Barrau, Jacques; Rima, Ghassoub New Stable Germylenes, Stannylenes, and Related Compounds. 1. Stable Germanium(II) and Tin(II) Compounds M(OCH~2~CH~2~NMe~2~)~2~ (M = Ge, Sn) with Intramolecular Coordination Metal–Nitrogen Bonds. Synthesis and Structure Organometallics 22(8) (2003) 1675-1681
Space group: A e a 2
Cell volume: 1197.8
Cell parameters: 11.7705; 10.1142; 10.061; 90; 90; 90;

COD ID: 4062039
CIF file	Formula: - C64 H80 Fe4 N8 O2 - Comments: Organometallics (2003) Space group: A e a 2 Cell volume: 5735.4 Cell parameters: 20.552; 19.537; 14.2842; 90; 90; 90;

COD ID: 4062040
CIF file	Formula: - C64 H80 Co2 Fe2 N8 O2 - Comments: Organometallics (2003) Space group: A e a 2 Cell volume: 5805.6 Cell parameters: 20.78; 19.5453; 14.2942; 90; 90; 90;

COD ID: 4065373
CIF file	Formula: - B5 H12 N O12 - Comments: Fortman, George C.; Slawin, Alexandra M. Z.; Nolan, Steven P. Highly Active Iridium(III)‒NHC System for the Catalytic B‒N Bond Activation and Subsequent Solvolysis of Ammonia‒Borane Organometallics 30(20) (2011) 5487 Space group: A e a 2 Cell volume: 1140.1 Cell parameters: 11.304; 11.02; 9.152; 90; 90; 90;

COD ID: 4066662
CIF file	Formula: - C18 H3 B F12 - Comments: Ullrich, Matthias; Lough, Alan J.; Stephan, Douglas W. Dihydrogen Activation by B(p-C6F4H)3and Phosphines Organometallics 29(16) (2010) 3647 Space group: A e a 2 Cell volume: 1651.87 Cell parameters: 8.9262; 17.7039; 10.453; 90; 90; 90;

COD ID: 4074421

CIF file

Formula: - C16 H34 Cl2 N4 O2 Si -
Comments: Gostevskii, Boris; Zamstein, Noa; Korlyukov, Alexander A.; Baukov, Yuri I.; Botoshansky, Mark; Kaftory, Menahem; Kocher, Nikolaus; Stalke, Dietmar; Kalikhman, Inna; Kost, Daniel Donor-Stabilized Silyl Cations. 11. Bis-Zwitterionic Penta- and Hexacoordinate Silicon Dichelate Complexes Derived from (ClCH2)2SiCl2through Double Internal Displacement of Chloride1 Organometallics 25(22) (2006) 5416
Space group: A e a 2
Cell volume: 2129.7
Cell parameters: 8.994; 21.354; 11.089; 90; 90; 90;

COD ID: 4087434
CIF file	Formula: - C24 H38 F6 Fe2 P S3 - Comments: Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes Organometallics 34(9) (2015) 1661 Space group: A e a 2 Cell volume: 5770 Cell parameters: 18.018; 20.18; 15.868; 90; 90; 90;

COD ID: 4088708
CIF file	Formula: - C36 H47.5 Ir N P2 - Comments: Vilanova, Sean P.; Iluc, Vlad M. Aryl and Benzyl C‒H Activation of N-Substituted PNP Ligands Organometallics 35(12) (2016) 2110 Space group: A e a 2 Cell volume: 13184 Cell parameters: 16.455; 28.172; 28.44; 90; 90; 90;

COD ID: 4089688

CIF file

Formula: - C27 H28 Cl N O5 Ru S -
Comments: Aman, Farhana; Hanif, Muhammad; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Filak, Lukas K.; Reynisson, Jóhannes; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G. Anticancer Ruthenium(η6-p-cymene) Complexes of Nonsteroidal Anti-inflammatory Drug Derivatives Organometallics 33(19) (2014) 5546
Space group: A e a 2
Cell volume: 5194
Cell parameters: 17.094; 17.4204; 17.4423; 90; 90; 90;

COD ID: 4110987
CIF file	Formula: - C120 H160 Al6 Cl12 N4 O22 - Comments: Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade Facile Synthesis of Monomeric Alumatranes Journal of the American Chemical Society 128 (2006) 13727-13735 Space group: A e a 2 Cell volume: 13008 Cell parameters: 27.854; 25.16; 18.562; 90; 90; 90;

COD ID: 4118230
CIF file	Formula: - C78 H102 Co3 N13 O2 - Comments: Julia Kozhukh; Stephen J. Lippard Influence of Tetraazamacrocyclic Ligands on the Nitric Oxide Reactivity of their Cobalt(II) Complexes Journal of the American Chemical Society 134 (2012) 11120-11123 Space group: A e a 2 Cell volume: 7086 Cell parameters: 29.641; 22.626; 10.566; 90; 90; 90;

COD ID: 4124996

CIF file

Formula: - C84 H86 B F20 Li N4 Si2 -
Comments: Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C. Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry. Journal of the American Chemical Society 138(13) (2016) 4589-4600
Space group: A e a 2
Cell volume: 16523.1
Cell parameters: 21.7127; 29.2279; 26.0364; 90; 90; 90;

COD ID: 4127247
CIF file	Formula: - C16 H16 N2 O2 - Comments: Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones. Journal of the American Chemical Society 141(20) (2019) 8364-8371 Space group: A e a 2 Cell volume: 2822.7 Cell parameters: 21.686; 17.836; 7.2977; 90; 90; 90;

COD ID: 4129594

CIF file

Formula: - C27 H31 Co N2 -
Comments: Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L. Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst. Journal of the American Chemical Society 137(41) (2015) 13244-13247
Space group: A e a 2
Cell volume: 2263.5
Cell parameters: 16.0692; 16.4154; 8.581; 90; 90; 90;

COD ID: 4131240

CIF file

Formula: - C6 H18 Br4 N2 Pb -
Comments: Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G. White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites. Journal of the American Chemical Society 139(14) (2017) 5210-5215
Space group: A e a 2
Cell volume: 11986
Cell parameters: 41.685; 23.962; 12; 90; 90; 90;

COD ID: 4131953

CIF file

Formula: - C24 H26 N2 O7 -
Comments: Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society 140(16) (2018) 5393-5400
Space group: A e a 2
Cell volume: 4194.6
Cell parameters: 13.6713; 37.374; 8.2094; 90; 90; 90;

COD ID: 4131995

CIF file

Formula: - C12 H7 F3 N2 -
Comments: Kobayashi, Kensuke; Horiuchi, Sachio; Ishibashi, Shoji; Murakami, Youichi; Kumai, Reiji Field-Induced Antipolar-Polar Structural Transformation and Giant Electrostriction in Organic Crystal. Journal of the American Chemical Society 140(11) (2018) 3842-3845
Space group: A e a 2
Cell volume: 2057.5
Cell parameters: 14.047; 14.609; 10.026; 90; 90; 90;

COD ID: 4134273

CIF file

Formula: - C10 H20 F4 I4 N2 Pb -
Comments: Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric. Journal of the American Chemical Society (2020)
Space group: A e a 2
Cell volume: 2097.52
Cell parameters: 9.2974; 25.1758; 8.9611; 90; 90; 90;

COD ID: 4134277

CIF file

Formula: - C10 H20 F4 I4 N2 Pb -
Comments: Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric. Journal of the American Chemical Society (2020)
Space group: A e a 2
Cell volume: 2076.03
Cell parameters: 9.2541; 25.0703; 8.9483; 90; 90; 90;

COD ID: 4134282

CIF file

Formula: - C10 H20 F4 I4 N2 Pb -
Comments: Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric. Journal of the American Chemical Society (2020)
Space group: A e a 2
Cell volume: 2135.61
Cell parameters: 9.3456; 25.3587; 9.0113; 90; 90; 90;

COD ID: 4301104

CIF file

Formula: - C84 H132 Cu4 N8 O20 P4 -
Comments: Ramaswamy Murugavel; Subramaniam Kuppuswamy; Amarendra Nath Maity; Mayank Pratap Singh Di-, Tri-, Tetra-, and Hexanuclear Copper(II) Mono-organophosphates: Structure and Nuclearity Dependence on the Choice of Phosphorus Substituents and Auxiliary N-Donor Ligands Inorganic Chemistry 48 (2009) 183-192
Space group: A e a 2
Cell volume: 9342.6
Cell parameters: 17.8321; 26.9021; 19.4751; 90; 90; 90;

COD ID: 4304029

CIF file

Formula: - C58 H72 Cu2 N4 O4 -
Comments: Atasi Mukherjee; Francesc Lloret; Rabindranath Mukherjee Synthesis and Properties of Diphenoxo-Bridged CoII, NiII, CuII, and ZnII Complexes of a New Tripodal Ligand: Generation and Properties of MII-Coordinated Phenoxyl Radical Species Inorganic Chemistry 47 (2008) 4471-4480
Space group: A e a 2
Cell volume: 5062
Cell parameters: 13.677; 34.017; 10.88; 90; 90; 90;

COD ID: 4310628
CIF file	Formula: - C28 H20 Cu N6 - Comments: Sara R. Halper; Mitchell R. Malachowski; Heather M. Delaney; Seth M. Cohen Heteroleptic Copper Dipyrromethene Complexes: Synthesis, Structure, and Coordination Polymers Inorganic Chemistry 43 (2004) 1242-1249 Space group: A e a 2 Cell volume: 2237.7 Cell parameters: 8.9282; 8.915; 28.113; 90; 90; 90;

COD ID: 4311428
CIF file	Formula: - C16 H30 Cl2 Cu2 N6 - Comments: Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock Structural Consequences of the Prohibition of Hydrogen Bonding in Copper-Guanidine Systems Inorganic Chemistry 43 (2004) 5168-5172 Space group: A e a 2 Cell volume: 2002.07 Cell parameters: 16.8277; 12.2576; 9.7062; 90; 90; 90;

COD ID: 4312581
CIF file	Formula: - C20 H42 Fe N4 - Comments: Booyong S. Lim; Antti Rahtu; Jin-Seong Park; Roy G. Gordon Synthesis and Characterization of Volatile, Thermally Stable, Reactive Transition Metal Amidinates Inorganic Chemistry 42 (2003) 7951-7958 Space group: A e a 2 Cell volume: 2407.3 Cell parameters: 14.6874; 13.9418; 11.7564; 90; 90; 90;

COD ID: 4314054
CIF file	Formula: - C72 H84 K4 O8 - Comments: Timothy J. Boyle; Nicholas L. Andrews; Mark A. Rodriguez; Charles Campana; Timothy Yiu Structural Variations of Potassium Aryloxides Inorganic Chemistry 42 (2003) 5357-5366 Space group: A e a 2 Cell volume: 6758.3 Cell parameters: 18.178; 19.511; 19.055; 90; 90; 90;

COD ID: 4315821

CIF file

Formula: - C90 H174 Er2 N12 S2 Si8 -
Comments: Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides Inorganic Chemistry 49 (2010) 5715-5722
Space group: A e a 2
Cell volume: 12236
Cell parameters: 19.613; 21.093; 29.578; 90; 90; 90;

COD ID: 4315824

CIF file

Formula: - C84 H178 Er2 N12 S2 Si8 -
Comments: Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides Inorganic Chemistry 49 (2010) 5715-5722
Space group: A e a 2
Cell volume: 12123
Cell parameters: 19.325; 20.926; 29.977; 90; 90; 90;

COD ID: 4315826

CIF file

Formula: - C84 H178 N12 S2 Si8 Yb2 -
Comments: Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides Inorganic Chemistry 49 (2010) 5715-5722
Space group: A e a 2
Cell volume: 12200
Cell parameters: 19.462; 21.004; 29.844; 90; 90; 90;

COD ID: 4315827

CIF file

Formula: - C84 H178 N12 S2 Si8 Y2 -
Comments: Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides Inorganic Chemistry 49 (2010) 5715-5722
Space group: A e a 2
Cell volume: 12135
Cell parameters: 19.299; 20.872; 30.127; 90; 90; 90;

COD ID: 4315828

CIF file

Formula: - C88 H170 Er2 N12 S2 Si8 -
Comments: Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides Inorganic Chemistry 49 (2010) 5715-5722
Space group: A e a 2
Cell volume: 12102
Cell parameters: 19.329; 21.163; 29.585; 90; 90; 90;

COD ID: 4315829

CIF file

Formula: - C88 H170 N12 S2 Si8 Yb2 -
Comments: Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides Inorganic Chemistry 49 (2010) 5715-5722
Space group: A e a 2
Cell volume: 12064
Cell parameters: 19.327; 21.14; 29.528; 90; 90; 90;

COD ID: 4332295
CIF file	Formula: - C26 H24 I4 P2 - Comments: Ellis, Bobby D.; Macdonald, Charles L. B. Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds Inorganic Chemistry 45(17) (2006) 6864-6874 Space group: A e a 2 Cell volume: 2869.1 Cell parameters: 15.2158; 15.2876; 12.3342; 90; 90; 90;

COD ID: 4334168

CIF file

Formula: - C41 H45 N3 O5 P2 -
Comments: Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms Inorganic Chemistry 52 (2013) 3063-3083
Space group: A e a 2
Cell volume: 3733
Cell parameters: 22.2182; 15.4755; 10.8569; 90; 90; 90;

COD ID: 4334169

CIF file

Formula: - C41 H45 N3 O5 P2 -
Comments: Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms Inorganic Chemistry 52 (2013) 3063-3083
Space group: A e a 2
Cell volume: 3738.5
Cell parameters: 22.2568; 15.4841; 10.8479; 90; 90; 90;

COD ID: 4339669

CIF file

Formula: - C36 H50 Ce3 Mn2 N6 O30 -
Comments: Tasiopoulos, Anastasios J.; Milligan, Jr, Paul L; Abboud, Khalil A.; O'Brien, Ted A; Christou, George Mixed transition metal-lanthanide complexes at high oxidation states: heteronuclear CeIVMnIV clusters. Inorganic chemistry 46(23) (2007) 9678-9691
Space group: A e a 2
Cell volume: 5303.6
Cell parameters: 22.6707; 14.8735; 15.7286; 90; 90; 90;

COD ID: 4342868

CIF file

Formula: - C62 H56 Cl4 Er N7 O11 -
Comments: Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers. Inorganic chemistry 54(11) (2015) 5295-5300
Space group: A e a 2
Cell volume: 6182.1
Cell parameters: 18.705; 14.048; 23.527; 90; 90; 90;

COD ID: 4342869

CIF file

Formula: - C62 H56 Cl4 N7 O11 Yb -
Comments: Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers. Inorganic chemistry 54(11) (2015) 5295-5300
Space group: A e a 2
Cell volume: 6182.1
Cell parameters: 18.705; 14.048; 23.527; 90; 90; 90;

COD ID: 4344458

CIF file

Formula: - C23 H20 B12 Co2 F12 O -
Comments: Malischewski, Moritz; Bukovsky, Eric V.; Strauss, Steven H.; Seppelt, Konrad Jahn-Teller Effect in the B12F12 Radical Anion and Energetic Preference of an Octahedral B6(BF2)6 Cluster Structure over an Icosahedral Structure for the Elusive Neutral B12F12. Inorganic chemistry 54(23) (2015) 11563-11566
Space group: A e a 2
Cell volume: 6366
Cell parameters: 19.6; 19.585; 16.583; 90; 90; 90;

COD ID: 4346149

CIF file

Formula: - C18 H22 Fe N6 Se2 -
Comments: Luan, Jie; Zhou, Jian; Liu, Zhan; Zhu, Bowen; Wang, Huisi; Bao, Xin; Liu, Wei; Tong, Ming-Liang; Peng, Guo; Peng, Haonan; Salmon, Lionel; Bousseksou, Azzedine Polymorphism-Dependent Spin-Crossover: Hysteretic Two-Step Spin Transition with an Ordered [HS-HS-LS] Intermediate Phase. Inorganic chemistry 54(11) (2015) 5145-5147
Space group: A e a 2
Cell volume: 2140.4
Cell parameters: 13.2; 17.8552; 9.0813; 90; 90; 90;

COD ID: 4346150

CIF file

Formula: - C18 H22 Fe N6 Se2 -
Comments: Luan, Jie; Zhou, Jian; Liu, Zhan; Zhu, Bowen; Wang, Huisi; Bao, Xin; Liu, Wei; Tong, Ming-Liang; Peng, Guo; Peng, Haonan; Salmon, Lionel; Bousseksou, Azzedine Polymorphism-Dependent Spin-Crossover: Hysteretic Two-Step Spin Transition with an Ordered [HS-HS-LS] Intermediate Phase. Inorganic chemistry 54(11) (2015) 5145-5147
Space group: A e a 2
Cell volume: 6274.6
Cell parameters: 39.457; 17.701; 8.9839; 90; 90; 90;

COD ID: 4346342

CIF file

Formula: - C52 H68 Co2 N46 O35 -
Comments: Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals. Inorganic chemistry 54(16) (2015) 8077-8086
Space group: A e a 2
Cell volume: 9112
Cell parameters: 17.9725; 32.179; 15.7563; 90; 90; 90;

COD ID: 4347097

CIF file

Formula: - C62 H60 Au2 Br2 N8 O2 -
Comments: Penney, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Krupenya, Dmitry V.; Gurzhiy, Vladislav V.; Starova, Galina L.; Tunik, Sergey P. Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the Excited State To Modulate the Emission in a Series of Dinuclear Homoleptic Gold(I)-NHC Complexes. Inorganic chemistry 55(10) (2016) 4720-4732
Space group: A e a 2
Cell volume: 11024.2
Cell parameters: 19.9551; 20.196; 27.3545; 90; 90; 90;

COD ID: 4347106

CIF file

Formula: - C48 H50 Br4 N6 P2 Pd2 -
Comments: Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes. Inorganic chemistry 55(6) (2016) 2882-2893
Space group: A e a 2
Cell volume: 5995.1
Cell parameters: 17.937; 25.291; 13.2153; 90; 90; 90;

COD ID: 4347508
CIF file	Formula: - C36 H20 Fe N10 S4 - Comments: Yang, Qian; Gao, Chen; Wang, Ye-Xin; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song Two Magnetic Switching Complexes Based on the Fe(II) Ion. Inorganic chemistry 55(16) (2016) 7805-7807 Space group: A e a 2 Cell volume: 3382.8 Cell parameters: 12.7935; 26.6085; 9.9374; 90; 90; 90;

COD ID: 4347509
CIF file	Formula: - C36 H20 Fe N10 S4 - Comments: Yang, Qian; Gao, Chen; Wang, Ye-Xin; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song Two Magnetic Switching Complexes Based on the Fe(II) Ion. Inorganic chemistry 55(16) (2016) 7805-7807 Space group: A e a 2 Cell volume: 3409.1 Cell parameters: 13.402; 26.5439; 9.5831; 90; 90; 90;

COD ID: 4349276
CIF file	Formula: - C113 H88 O18 Ru8 S2 - Comments: Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens. Inorganic chemistry 55(22) (2016) 12061-12073 Space group: A e a 2 Cell volume: 20038 Cell parameters: 31.004; 28.866; 22.39; 90; 90; 90;

COD ID: 4349728

CIF file

Formula: - C4 H16 Bi Cl5 N2 -
Comments: Piecha-Bisiorek, Anna; Gągor, Anna; Jakubas, Ryszard; Ciżman, Agnieszka; Janicki, Rafał; Medycki, Wojciech Ferroelectricity in bis(ethylammonium) pentachlorobismuthate(iii): synthesis, structure, polar and spectroscopic properties Inorganic Chemistry Frontiers 4(8) (2017) 1281
Space group: A e a 2
Cell volume: 2855.55
Cell parameters: 17.5405; 21.767; 7.47911; 90; 90; 90;

COD ID: 4349730
CIF file	Formula: - C10 H28 Cd Cl4 N2 - Comments: Wang, Zhongxia; Lv, Xing-Hui; Liu, Yu-Ling; Lu, Yang; Chen, Hai-Peng; Ge, Jia-Zhen Prominent dielectric transitions in layered organic‒inorganic hybrids: (isoamyl-ammonium)2CdX4 (X = Cl and Br) Inorganic Chemistry Frontiers 4(8) (2017) 1330 Space group: A e a 2 Cell volume: 1871 Cell parameters: 7.45; 33.85; 7.42; 90; 90; 90;

COD ID: 4350049
CIF file	Formula: - C26 H26 Fe N6 S2 - Comments: Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin Investigation of SCO property‒structural relationships in a family of mononuclear Fe(ii) complexes Inorganic Chemistry Frontiers 6(8) (2019) 2194 Space group: A e a 2 Cell volume: 2552.5 Cell parameters: 15.7067; 18.4252; 8.8199; 90; 90; 90;

COD ID: 4350180

CIF file

Formula: - C16 H37 Gd1.5 N12.5 O17 Ru2 -
Comments: Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D. Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer. Inorganic chemistry 45(10) (2006) 3895-3904
Space group: A e a 2
Cell volume: 7573.1
Cell parameters: 25.1267; 22.1514; 13.6062; 90; 90; 90;

COD ID: 4350182

CIF file

Formula: - C16 H36 N12.5 O16.5 Ru2 Yb1.5 -
Comments: Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D. Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer. Inorganic chemistry 45(10) (2006) 3895-3904
Space group: A e a 2
Cell volume: 7401.9
Cell parameters: 24.9856; 21.9719; 13.483; 90; 90; 90;

COD ID: 4350183

CIF file

Formula: - C16 H37 Eu1.5 N12.5 O17 Ru2 -
Comments: Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D. Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer. Inorganic chemistry 45(10) (2006) 3895-3904
Space group: A e a 2
Cell volume: 7609
Cell parameters: 25.16; 22.2; 13.623; 90; 90; 90;

COD ID: 4350669
CIF file	Formula: - C18 Cu N3 O8 U - Comments: Weng, Zhehui; Zhang, Zhi-hui; Olds, Travis; Sterniczuk, Marcin; Burns, Peter C. Copper(I) and copper(II) uranyl heterometallic hybrid materials. Inorganic chemistry 53(15) (2014) 7993-7998 Space group: A e a 2 Cell volume: 4229 Cell parameters: 27.757; 10.734; 14.194; 90; 90; 90;

COD ID: 4501754
CIF file	Formula: - C29 H25 Ce N9 O16 - Comments: Das, Babulal; Baruah, Jubaraj B. Protonated Adenine and Cytosine Ribbons Stabilized by Dipicolinato Metal Frameworks Crystal Growth & Design 10(7) (2010) 3242 Space group: A e a 2 Cell volume: 3271.99 Cell parameters: 15.9668; 17.7252; 11.5612; 90; 90; 90;

COD ID: 4513766
CIF file	Formula: - C20 H26 Cl F6 N3 P Rh - Comments: Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis (2015) 709 Space group: A e a 2 Cell volume: 4780.8 Cell parameters: 28.458; 12.7428; 13.1834; 90; 90; 90;

COD ID: 4516741

CIF file

Formula: - C20 H32 Co P4 -
Comments: Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C. Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis ACS Catalysis 7(9) (2017) 6008
Space group: A e a 2
Cell volume: 2310.19
Cell parameters: 15.7643; 16.3813; 8.9459; 90; 90; 90;

COD ID: 4517568
CIF file	Formula: - C17 H14 Cl I N2 O2 - Comments: Sun, Han-Li; Yang, Fan; Ye, Wei-Ting; Wang, Jun-Jie; Zhu, Rong Dual Cobalt and Photoredox Catalysis Enabled Intermolecular Oxidative Hydrofunctionalization ACS Catalysis 10(9) (2020) 4983-4989 Space group: A e a 2 Cell volume: 3257.34 Cell parameters: 31.3169; 13.0613; 7.9634; 90; 90; 90;

COD ID: 4518151

CIF file

Formula: - Ba F2 Mo2 O10 Se2 -
Comments: Lin, Lin; Jiang, Xingxing; Wu, Chao; Li, Longhua; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi Ba(MoO2F)2(XO3)2 (X = Se and Te): First Cases of Noncentrosymmetric Fluorinated Molybdenum Oxide Selenite/Tellurite Through Unary Substitution for Enlarging Band Gaps and Second Harmonic Generation ACS Applied Materials & Interfaces (2020)
Space group: A e a 2
Cell volume: 995.1
Cell parameters: 12.3643; 11.0325; 7.2946; 90; 90; 90;

COD ID: 4518152

CIF file

Formula: - Ba F2 Mo2 O10 Te2 -
Comments: Lin, Lin; Jiang, Xingxing; Wu, Chao; Li, Longhua; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi Ba(MoO2F)2(XO3)2 (X = Se and Te): First Cases of Noncentrosymmetric Fluorinated Molybdenum Oxide Selenite/Tellurite Through Unary Substitution for Enlarging Band Gaps and Second Harmonic Generation ACS Applied Materials & Interfaces (2020)
Space group: A e a 2
Cell volume: 1006.34
Cell parameters: 12.5591; 11.0137; 7.2753; 90; 90; 90;

COD ID: 4518923

CIF file

Formula: - Hg3 P2 S8 -
Comments: Xing, Wenhao; Liang, Fei; Tang, Chunlan; Uykur, Ece; Lin, Zheshuai; Yao, Jiyong; Yin, Wenlong; Kang, Bin Highly Distorted [HgS4] Motif-Driven Structural Symmetry Degradation and Strengthened Second-Harmonic Generation Response in the Defect Diamond-Like Chalcogenide Hg3P2S8. ACS applied materials & interfaces (2021)
Space group: A e a 2
Cell volume: 1239.43
Cell parameters: 16.3786; 8.1613; 9.2723; 90; 90; 90;

COD ID: 4519415

CIF file

Formula: - C15 H12 F3 N O2 -
Comments: Ashfaq, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Ali, Akbar; Arshad, Muhammad Nadeem; Asiri, Abdullah M. Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration. ACS omega 7(11) (2022) 9867-9878
Space group: A e a 2
Cell volume: 2751
Cell parameters: 26.638; 13.754; 7.5085; 90; 90; 90;

COD ID: 7036967

CIF file

Formula: - C16 H24 B2 Fe N6 -
Comments: Zhou, Jian; Zhu, Bo-Wen; Luan, Jie; Liu, Zhan; Fang, Jing-Kun; Bao, Xin; Peng, Guo; Tucek, Jiri; Bao, Song-Song; Zheng, Li-Min In air a spin crossover active iron(ii) complex of amine/NCBH3(-) ligands is converted to a low spin complex of imine/CN(-) ligands. Dalton transactions (Cambridge, England : 2003) 44(47) (2015) 20551-20561
Space group: A e a 2
Cell volume: 1937
Cell parameters: 14.3553; 15.2389; 8.8543; 90; 90; 90;

COD ID: 7036968

CIF file

Formula: - C16 H24 B2 Fe N6 -
Comments: Zhou, Jian; Zhu, Bo-Wen; Luan, Jie; Liu, Zhan; Fang, Jing-Kun; Bao, Xin; Peng, Guo; Tucek, Jiri; Bao, Song-Song; Zheng, Li-Min In air a spin crossover active iron(ii) complex of amine/NCBH3(-) ligands is converted to a low spin complex of imine/CN(-) ligands. Dalton transactions (Cambridge, England : 2003) 44(47) (2015) 20551-20561
Space group: A e a 2
Cell volume: 2089.8
Cell parameters: 14.3196; 15.4416; 9.451; 90; 90; 90;

COD ID: 7036970

CIF file

Formula: - C16 H24 B2 N6 Ni -
Comments: Zhou, Jian; Zhu, Bo-Wen; Luan, Jie; Liu, Zhan; Fang, Jing-Kun; Bao, Xin; Peng, Guo; Tucek, Jiri; Bao, Song-Song; Zheng, Li-Min In air a spin crossover active iron(ii) complex of amine/NCBH3(-) ligands is converted to a low spin complex of imine/CN(-) ligands. Dalton transactions (Cambridge, England : 2003) 44(47) (2015) 20551-20561
Space group: A e a 2
Cell volume: 2033.8
Cell parameters: 14.329; 15.405; 9.2136; 90; 90; 90;

COD ID: 7038038

CIF file

Formula: - C145 H167 Br14 Co14 N28 O44 -
Comments: Zhang, Yanping; Lv, Rui; Wang, Jingyao; Yang, Linyan; Liao, Shengyun; Tian, Jinlei; Gu, Wen; Liu, Xin Two novel μ6-O2- bridged Co14/Ni14 hydroxamate Clusters packed in distorted face-centered cubic patterns Dalton Transactions 45(8) (2016) 3247-3250
Space group: A e a 2
Cell volume: 18509
Cell parameters: 19.02; 30.995; 31.396; 90; 90; 90;

COD ID: 7040916

CIF file

Formula: - C69 H78 Cl2 N4 O12 Re4 S4 -
Comments: Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands. Dalton transactions (Cambridge, England : 2003) 45(45) (2016) 18346-18355
Space group: A e a 2
Cell volume: 7357.4
Cell parameters: 38.243; 11.6015; 16.5828; 90; 90; 90;

COD ID: 7040918

CIF file

Formula: - C69 H74 Cl2 N4 O12 Re4 S4 -
Comments: Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands. Dalton transactions (Cambridge, England : 2003) 45(45) (2016) 18346-18355
Space group: A e a 2
Cell volume: 7329.1
Cell parameters: 37.853; 11.623; 16.6584; 90; 90; 90;

COD ID: 7041693

CIF file

Formula: - C69 H74 Cl2 Mn4 N4 O12 S4 -
Comments: Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel Mono- and bimetallic manganese-carbonyl complexes and clusters bearing imidazol(in)ium-2-dithiocarboxylate ligands. Dalton transactions (Cambridge, England : 2003) 46(6) (2017) 1779-1788
Space group: A e a 2
Cell volume: 7223.3
Cell parameters: 38.0525; 11.428; 16.6104; 90; 90; 90;

COD ID: 7041694

CIF file

Formula: - C69 H78 Cl2 Mn4 N4 O12 S4 -
Comments: Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel Mono- and bimetallic manganese-carbonyl complexes and clusters bearing imidazol(in)ium-2-dithiocarboxylate ligands. Dalton transactions (Cambridge, England : 2003) 46(6) (2017) 1779-1788
Space group: A e a 2
Cell volume: 7221.1
Cell parameters: 38.3937; 11.4255; 16.4614; 90; 90; 90;

COD ID: 7042123

CIF file

Formula: - C26 H32 Br15 Cu11 N4 -
Comments: Lei, Xiao-Wu; Yue, Cheng-Yang; Wang, Sai; Gao, Hui; Wang, Wei; Wang, Ning; Yin, Yun-Dong Di-pyridyl organic cation directed hybrid cuprous halogenides: syntheses, crystal structures and photochromism and photocatalysis. Dalton transactions (Cambridge, England : 2003) 46(13) (2017) 4209-4217
Space group: A e a 2
Cell volume: 5056
Cell parameters: 19.9166; 24.7493; 10.2572; 90; 90; 90;

COD ID: 7042126

CIF file

Formula: - C26 H32 Cu11 I15 N4 -
Comments: Lei, Xiao-Wu; Yue, Cheng-Yang; Wang, Sai; Gao, Hui; Wang, Wei; Wang, Ning; Yin, Yun-Dong Di-pyridyl organic cation directed hybrid cuprous halogenides: syntheses, crystal structures and photochromism and photocatalysis. Dalton transactions (Cambridge, England : 2003) 46(13) (2017) 4209-4217
Space group: A e a 2
Cell volume: 5646.1
Cell parameters: 20.623; 25.633; 10.6807; 90; 90; 90;

COD ID: 7044484
CIF file	Formula: - C29.5 H41 Cl2 F6 Ir N2 O0.5 P - Comments: Li, Juanjuan; Guo, Lihua; Tian, Zhenzhen; Tian, Meng; zhang, shumiao; Xu, Ke; Qian, Yuchuan; Liu, Zhe Novel half-sandwich iridium(III) imino-pyridyl complexes showing remarkable in vitro anticancer activity Dalton Trans. (2017) Space group: A e a 2 Cell volume: 13374.1 Cell parameters: 14.0362; 29.3317; 32.4846; 90; 90; 90;

COD ID: 7047118

CIF file

Formula: - C44 H84 Cl6 N2 P4 Zr2 -
Comments: Sekiguchi, Yoshiya; Meng, Fanqiang; Tanaka, Hiromasa; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki Synthesis and reactivity of titanium- and zirconium-dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands. Dalton transactions (Cambridge, England : 2003) 47(33) (2018) 11322-11326
Space group: A e a 2
Cell volume: 5580.7
Cell parameters: 14.8731; 14.7823; 25.3833; 90; 90; 90;

COD ID: 7047948

CIF file

Formula: - B4 H20 N2 Sr -
Comments: Jørgensen, Mathias; Lee, Young-Su; Bjerring, Morten; Jepsen, Lars H.; Akbey, Ümit; Cho, Young Whan; Jensen, Torben R. Disorder induced polymorphic transitions in the high hydrogen density compound Sr(BH4)2(NH3BH3)2. Dalton transactions (Cambridge, England : 2003) 47(46) (2018) 16737-16746
Space group: A e a 2
Cell volume: 999.91
Cell parameters: 8.59299; 13.68873; 8.50066; 90; 90; 90;

COD ID: 7056118

CIF file

Formula: - C18 H22 Cl2 Cu N8 O3 -
Comments: Lavrenova, Ludmila G.; Kuz'menko, Tatyana A.; Ivanova, Alina D.; Smolentsev, Anton I.; Komarov, Vladislav; Bogomyakov, Artem Stepanovich; Sheludyakova, Lilia A.; Vorontsova, Elena V. Synthesis, magnetic and cytotoxic properties of copper(II) halide complexes with 1,2,4-triazolo[1,5-a] benzimidazoles New J. Chem. (2017)
Space group: A e a 2
Cell volume: 2267.53
Cell parameters: 17.6722; 17.3463; 7.397; 90; 90; 90;

COD ID: 7059110
CIF file	Formula: - C32 H40 Cu4 I2 N10 - Comments: Jana, Oishi; Mani, Ganesan New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand New Journal of Chemistry 41(17) (2017) 9361 Space group: A e a 2 Cell volume: 3679.9 Cell parameters: 15.1031; 17.648; 13.8061; 90; 90; 90;

COD ID: 7059117
CIF file	Formula: - C5 H14 N14 O7 - Comments: Huang, Haifeng; Li, Ying; Yang, Jun; Pan, Renming; Lin, Xiangyang Materials with good energetic properties resulting from the smart combination of nitramino and dinitromethyl group with furazan New Journal of Chemistry 41(15) (2017) 7697 Space group: A e a 2 Cell volume: 3147.2 Cell parameters: 21.595; 18.986; 7.676; 90; 90; 90;

COD ID: 7059126

CIF file

Formula: - C23 H23 N3 O3 -
Comments: Huang, Ying; Min, Wei; Wu, Qiu-Wen; Sun, Jing; Shi, Da-Hua; Yan, Chao-Guo Facile one-pot synthesis of spirooxindole-pyrrolidine derivatives and their antimicrobial and acetylcholinesterase inhibitory activities New Journal of Chemistry 42(19) (2018) 16211
Space group: A e a 2
Cell volume: 4155
Cell parameters: 25.339; 10.4719; 15.6589; 90; 90; 90;

COD ID: 7061629

CIF file

Formula: - C14 H30 N4 O8 Re2 -
Comments: You, Xiuli; Rao, Wenjun; Han, Keke; Wang, Lingyu; Zhang, Mengxia; Wei, Zhenhong Two quasi-spherical molecules [1,4-diazabicyclo(3.2.2)nonane]X (X = ClO4, ReO4) exhibit switchable phase transition, dielectric and second-harmonic-generation properties New Journal of Chemistry 46(30) (2022) 14404-14409
Space group: A e a 2
Cell volume: 2070.4
Cell parameters: 13.725; 13.75; 10.9708; 90; 90; 90;

COD ID: 7100572

CIF file

Formula: - C22 H26 N2 O -
Comments: Ebran, Jean-Philippe; Hazell, Rita G.; Skrydstrup, Troels Samarium diiodide-induced intramolecular pinacol coupling of dinitrones: synthesis of cyclic cis-vicinal diamines Chemical Communications (Cambridge, United Kingdom) (issue 43) (2005) 5402-5404
Space group: A e a 2
Cell volume: 1793.89
Cell parameters: 12.149; 20.4254; 7.2291; 90; 90; 90;

COD ID: 7118054

CIF file

Formula: - C22 H15 I N4 O -
Comments: Hu, Yancheng; Yi, Ruxia; Yu, Xinzhang; Xin, Xiaoyi; Wang, Chunxiang; Wan, Boshun O-Transfer-facilitated cyclizations of propargylamides with TMSN3: selective synthesis of tetrazoles and dihydroimidazoles. Chemical communications (Cambridge, England) 51(84) (2015) 15398-15401
Space group: A e a 2
Cell volume: 8182.2
Cell parameters: 22.3839; 36.433; 10.0332; 90; 90; 90;

COD ID: 7118696
CIF file	Formula: - C38 H51 Co N2 O - Comments: Andjaba, John M.; Tye, Jesse W.; Yu, Pony; Pappas, Iraklis; Bradley, Christopher A. CpCo(IPr): synthesis and reactivity of an unsaturated Co(i) complex. Chemical communications (Cambridge, England) 52(12) (2016) 2469-2472 Space group: A e a 2 Cell volume: 6854.8 Cell parameters*: 23.5831; 17.9998; 16.1483; 90; 90; 90;

COD ID: 7120325
CIF file	Formula: - C29 H28 N4 O4 - Comments: Tian, Xiaohe; Zhu, Yingzhong; Zhang, Qiong; Zhang, Ruilong; Wu, Jieying; Tian, Yupeng Halides Tuning Subcellular-Targeting in Two-Photon Emissive Complexes via Different Uptake Mechanisms Chem. Commun. (2017) Space group: A e a 2 Cell volume: 5209.4 Cell parameters: 11.3361; 48.595; 9.4566; 90; 90; 90;

COD ID: 7123437
CIF file	Formula: - C18 H20 O4 - Comments: Nambu, Hisanori; Onuki, Yuta; Ono, Naoki; Tsuge, Kiyoshi; Yakura, Takayuki Ring-opening cyclization of spirocyclopropanes with stabilized sulfonium ylides for the construction of a chromane skeleton Chemical Communications (2019) Space group: A e a 2 Cell volume: 3085.84 Cell parameters: 8.05576; 24.7866; 15.4543; 90; 90; 90;

COD ID: 7125353
CIF file	Formula: - C24 H20 S4 - Comments: Phan, Ngoc-Minh; Zakharov, Lev N.; Johnson, Darren W. Copper(ii) serves as an efficient additive for metal-directed self-assembly of over 20 thiacyclophanes. Chemical communications (Cambridge, England) 54(95) (2018) 13419-13422 Space group: A e a 2 Cell volume: 2097.88 Cell parameters: 10.8663; 8.5571; 22.5617; 90; 90; 90;

COD ID: 7125562

CIF file

Formula: - C11 H19 I7 N3 Pb2 S2 -
Comments: Zhu, Xu-Hui; Mercier, Nicolas; Riou, Amédée; Blanchard, Philippe; Frère, Pierre (C4H3SCH2NH3)2(CH3NH3)Pb2I7: non-centrosymmetrical crystal structure of a bilayer hybrid perovskite. Chemical communications (Cambridge, England) (issue 18) (2002) 2160-2161
Space group: A e a 2
Cell volume: 3218
Cell parameters: 8.838; 41.52; 8.769; 90; 90; 90;

COD ID: 7125842
CIF file	Formula: - C56 H59 N - Comments: Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions. Chemical communications (Cambridge, England) 56(16) (2020) 2487-2490 Space group: A e a 2 Cell volume: 4524 Cell parameters: 15.828; 16.995; 16.819; 90; 90; 90;

COD ID: 7126188

CIF file

Formula: - C150 H130 Cl4 Co3 N24 O24 -
Comments: Wang, Hao; Sayed, Sayed Youssef; Zhou, Yuqiao; Olsen, Brian C.; Luber, Erik J.; Buriak, Jillian M. Water-soluble pH-switchable cobalt complexes for aqueous symmetric redox flow batteries. Chemical communications (Cambridge, England) 56(25) (2020) 3605-3608
Space group: A e a 2
Cell volume: 16932.3
Cell parameters: 13.2673; 66.3212; 19.2434; 90; 90; 90;

COD ID: 7127827
CIF file	Formula: - C19 H15 N - Comments: 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) 57(16) (2021) 2021-2024 Space group: A e a 2 Cell volume: 2824.69 Cell parameters: 16.7467; 21.6002; 7.8088; 90; 90; 90;

COD ID: 7130092
CIF file	Formula: - C48 H24 N16 O20 Zn8 - Comments: Li, Jia-Li; Xiong, Xiao; Luo, Dong; Wei, Yu-Bai; Lu, Weigang; Li, Dan Formaldehyde recognition through aminal formation in a luminescent metal–organic framework Chemical Communications (2022) Space group: A e a 2 Cell volume: 24865.4 Cell parameters: 32.3895; 27.404; 28.0141; 90; 90; 90;

COD ID: 7131424

CIF file

Formula: - C8 H6 Cu N4 O2 -
Comments: Jung, Cheolwon; Choi, Sang Beom; Park, Jaewoo; Jung, Minji; Kim, Jonghoon; Oh, Hyunchul; Kim, Jaheon Porous zeolitic imidazolate frameworks assembled with highly-flattened tetrahedral copper(II) centres and 2-nitroimidazolates. Chemical communications (Cambridge, England) 59(27) (2023) 4040-4043
Space group: A e a 2
Cell volume: 930.1
Cell parameters: 7.915; 13.333; 8.8132; 90; 90; 90;

COD ID: 7132161
CIF file	Formula: - C28 H32 N6 O2 - Comments: Xiong, Shenglun; Zhang, Yi; Jiang, Yunqi; Wang, Fei; Zhou, Wei; Li, Aimin; Zhang, Qinpeng; Wang, Qiuan; He, Qing Photo–Controllable Binding and Release of HP2O73– Using an Azobenzene based Smart Macrocycle Chemical Communications (2023) Space group: A e a 2 Cell volume: 2637 Cell parameters: 11.4339; 9.3891; 24.5636; 90; 90; 90;

COD ID: 7158112

CIF file

Formula: - C10 H16 F5 N O4 S -
Comments: 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 19(25) (2021) 5607-5623
Space group: A e a 2
Cell volume: 3077.6
Cell parameters: 13.4208; 26.557; 8.6349; 90; 90; 90;

COD ID: 7158793
CIF file	Formula: - C45 H38 Cl2 F2 N6 O6 - Comments: Thadem, Nagender; Rajesh, Manda; Balaboina, Harikrishna; Das, Saibal Synthesis of bridgehead-azacycles <i>via</i> dual C-N/C-C annulation of α-amino acids, aminals and maleimides. Organic & biomolecular chemistry (2022) Space group: A e a 2 Cell volume: 4020 Cell parameters: 22.524; 24.034; 7.426; 90; 90; 90;

COD ID: 7223536

CIF file

Formula: - C84 H89.5 Fe2 N20 O8.75 -
Comments: Papadakis, Raffaello; Deligkiozi, Ioanna; Giorgi, Michel; Faure, Bruno; Tsolomitis, Athanase Supramolecular complexes involving non-symmetric viologen cations and hexacyanoferrate(II) anions. A spectroscopic, crystallographic and computational study. RSC Advances 6(1) (2015) 575-585
Space group: A e a 2
Cell volume: 17770.9
Cell parameters: 14.6547; 34.5808; 35.0669; 90; 90; 90;

COD ID: 7223564
CIF file	Formula: - C24 H18 Cl2 F2 Mn N4 O2 - Comments: Khavasi, Hamid Reza; Ghanbarpour, Alireza; Azhdari Tehrani, Alireza The role of intermolecular interactions involving halogens in the supramolecular architecture of a series of Mn(II) coordination compounds RSC Adv. (2015) Space group: A e a 2 Cell volume: 2395.1 Cell parameters: 13.476; 19.011; 9.349; 90; 90; 90;

COD ID: 7229249
CIF file	Formula: - C10 H20 N2 O14 P4 Zn3 - Comments: Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings CrystEngComm (2017) Space group: A e a 2 Cell volume: 2000.36 Cell parameters: 10.2729; 18.1781; 10.7119; 90; 90; 90;

COD ID: 7229719
CIF file	Formula: - C37 H29 N3 S - Comments: Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines RSC Advances 7(88) (2017) 56144 Space group: A e a 2 Cell volume: 5614 Cell parameters: 21.784; 27.581; 9.343; 90; 90; 90;

COD ID: 7233773

CIF file

Formula: - C31 H33 Ir N4 O6 -
Comments: Jieun Lee; Hankook Oh; Jinho Kim; Ki-Min Park; Kyoung Soo Yook; Jun Yeob Lee; Youngjin Kang Fluorine-free blue phosphorescent emitters for efficient phosphorescent organic light emitting diodes Journal of Materials Chemistry C 2 (2014) 6040-6047
Space group: A e a 2
Cell volume: 2953.12
Cell parameters: 15.1324; 19.6891; 9.9117; 90; 90; 90;

COD ID: 7234942

CIF file

Formula: - C22.86 H14.62 N0.6 O8.12 Zn2 -
Comments: Pan, Ying; Ding, Qiongjie; Xu, Hongjia; Shi, Chunyue; Singh, Amita; Kumar, Abhinav; Liu, Jianqiang A new Zn(ii)-based 3D metal‒organic framework with uncommon sev topology and its photocatalytic properties for the degradation of organic dyes CrystEngComm 21(31) (2019) 4578
Space group: A e a 2
Cell volume: 13723.6
Cell parameters: 41.3632; 18.7393; 17.7052; 90; 90; 90;

COD ID: 7234999
CIF file	Formula: - C24 H16 N4 O - Comments: Vala, Ruturajsinh M.; Patel, Divyang M.; Sharma, Mayank G.; Patel, Hitendra M. Impact of an aryl bulky group on a one-pot reaction of aldehyde with malononitrile and N-substituted 2-cyanoacetamide RSC Advances 9(49) (2019) 28886 Space group: A e a 2 Cell volume: 3828.2 Cell parameters: 14.5818; 28.597; 9.1804; 90; 90; 90;

COD ID: 7235417
CIF file	Formula: - C36 H24 N2 - Comments: Gleason, Cody J.; Cox, Jordan M.; Walton, Ian M.; Benedict, Jason B. Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl CrystEngComm 16(33) (2014) 7621 Space group: A e a 2 Cell volume: 5076.2 Cell parameters: 26.9518; 12.3277; 15.2781; 90; 90; 90;

COD ID: 7235715

CIF file

Formula: - C15 H8 N10 O10 -
Comments: Wu, Bo; Yang, Hongwei; Wang, Zhixin; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin Synthesis and characterization of new energetic derivatives containing a high nitrogen content moiety and picryl group: a new strategy for incorporating the picryl functionality RSC Adv. 4(95) (2014) 53282
Space group: A e a 2
Cell volume: 3853.1
Cell parameters: 24.962; 16.401; 9.4116; 90; 90; 90;

COD ID: 7236164

CIF file

Formula: - C36 H32 Cl2 Cu N8 O8 -
Comments: Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand CrystEngComm 18(25) (2016) 4733
Space group: A e a 2
Cell volume: 3671
Cell parameters: 17.4049; 17.5945; 11.9876; 90; 90; 90;

COD ID: 7236177

CIF file

Formula: - C64 H42 Cd3 N10 O13 -
Comments: Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties CrystEngComm 18(39) (2016) 7471
Space group: A e a 2
Cell volume: 6774
Cell parameters: 31.98; 7.904; 26.8; 90; 90; 90;

COD ID: 7237091
CIF file	Formula: - C21 H21 O3 P - Comments: Shen, Ruwei; Zhang, Ming; Xiao, Jing; Dong, Chao; Han, Li-Biao Ph3P-mediated highly selective C(α)‒P coupling of quinone monoacetals with R2P(O)H: convenient and practical synthesis of ortho-phosphinyl phenols Green Chemistry 20(22) (2018) 5111 Space group: A e a 2 Cell volume: 3727 Cell parameters: 32.26; 16.224; 7.12; 90; 90; 90;

COD ID: 7237099
CIF file	Formula: - C26 H22 Cl0 Co N8 O2 - Comments: Huang, Wei; Li, Yujie; Yong, Juan; Liu, Yang; Wu, Dayu Hydrazone-based cobalt complexes toward multielectron redox and spin crossover RSC Advances 8(31) (2018) 17159 Space group: A e a 2 Cell volume: 2357 Cell parameters: 12.408; 19.368; 9.808; 90; 90; 90;

COD ID: 7238602

CIF file

Formula: - C46.5 H51.5 Fe2 N8 O10.5 S8 -
Comments: Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties RSC Advances 2(6) (2012) 2517
Space group: A e a 2
Cell volume: 5540
Cell parameters: 23.038; 10.461; 22.989; 90; 90; 90;

COD ID: 7239206
CIF file	Formula: - C21 H19 N3 O2 - Comments: Wong, Wing-Yan; Lee, Siu-Fung; Chan, Hoi-Shan; Mak, Thomas C. W.; Wong, Chi-Hin; Huang, Lau-Shan; Stoddart, J. Fraser; Cham-Fai Leung, Ken Recognition between V- and dumbbell-shaped molecules RSC Advances 3(48) (2013) 26382 Space group: A e a 2 Cell volume: 1827.3 Cell parameters: 7.166; 40.204; 6.3427; 90; 90; 90;

COD ID: 7240540
CIF file	Formula: - C50 H36 Cl8 I4 N4 - Comments: Oburn, Shalisa M.; Santana, Carlos; Elacqua, Elizabeth; Groeneman , Ryan A diamondoid net sustained by halogen bonds: employing a cyclobutane to generate a tetrahedral architecture CrystEngComm (2020) Space group: A e a 2 Cell volume: 5251.4 Cell parameters: 11.0411; 16.8624; 28.2059; 90; 90; 90;

COD ID: 7243091
CIF file	Formula: - B5 H12 N O12 - Comments: Kusy, Rafał; Grela, Karol Ligand-free (Z)-selective transfer semihydrogenation of alkynes catalyzed by in situ generated oxidizable copper nanoparticles Green Chemistry 23(15) (2021) 5494-5502 Space group: A e a 2 Cell volume: 1141.51 Cell parameters: 11.3246; 11.0147; 9.1513; 90; 90; 90;

COD ID: 7243326
CIF file	Formula: - C18 H12 F4 I2 N2 - Comments: Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm 23(35) (2021) 6098-6106 Space group: A e a 2 Cell volume: 3708.5 Cell parameters: 13.1529; 18.502; 15.239; 90; 90; 90;

COD ID: 7243506
CIF file	Formula: - C44 H56 N9 O9 Zn2 - Comments: 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 11(48) (2021) 30148-30155 Space group: A e a 2 Cell volume: 9946 Cell parameters: 26.205; 25.903; 14.652; 90; 90; 90;

COD ID: 7244641

CIF file

Formula: - C32 H34 N2 O4 -
Comments: Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid CrystEngComm (2022)
Space group: A e a 2
Cell volume: 5452.64
Cell parameters: 26.6725; 19.708; 10.3729; 90; 90; 90;

COD ID: 7244705
CIF file	Formula: - C40 H37 Cd2.5 N3 O17.5 - Comments: Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R. Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands CrystEngComm (2022) Space group: A e a 2 Cell volume: 12606 Cell parameters: 16.868; 25.914; 28.838; 90; 90; 90;

COD ID: 7245503
CIF file	Formula: - C18 H40 Cl Fe N10 S6 - Comments: Wang, Ping; Chen, Ming-Kun; Tong, Yu-Qiao; Yin, Shi-Qing; Huang, Bo Structural phase transition and dielectric relaxation in an organic-inorganic hybrid compound: [(CH3)3NH]4[Fe(SCN)6]Cl CrystEngComm (2022) Space group: A e a 2 Cell volume: 3597.7 Cell parameters: 12.806; 16.361; 17.171; 90; 90; 90;

COD ID: 7247024
CIF file	Formula: - C28 H23 N5 O - Comments: Sun, Xuancheng; Li, Chaoxiong; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang A highly thermal and pH-stable fluorescence sensor for rapid detection of Hg2+, Fe3+, and tetracycline in aqueous solutions CrystEngComm 25(32) (2023) 4531-4538 Space group: A e a 2 Cell volume: 4682.15 Cell parameters: 17.7843; 34.8725; 7.54963; 90; 90; 90;

COD ID: 7247099

CIF file

Formula: - C35 H42 N2 O12 S2 -
Comments: Christoff, Rebecca M.; Al Bayer, Mohammad; Soares da Costa, Tatiana P.; Perugini, Matthew A.; Abbott, Belinda M. Enhancing allosteric inhibition of dihydrodipicolinate synthase through the design and synthesis of novel dimeric compounds RSC Medicinal Chemistry (2023)
Space group: A e a 2
Cell volume: 3716.3
Cell parameters: 13.1496; 21.1566; 13.3584; 90; 90; 90;

COD ID: 7247808
CIF file	Formula: - C4 H16 Bi Br5 N2 - Comments: Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L. (C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties CrystEngComm 26(3) (2024) 312-323 Space group: A e a 2 Cell volume: 3230.13 Cell parameters: 18.2458; 22.4324; 7.8919; 90; 90; 90;

COD ID: 7247809
CIF file	Formula: - C4 H16 Bi Cl5 N2 - Comments: Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L. (C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties CrystEngComm 26(3) (2024) 312-323 Space group: A e a 2 Cell volume: 2849.6 Cell parameters: 17.5689; 21.6639; 7.487; 90; 90; 90;

COD ID: 7247810
CIF file	Formula: - C4 H16 Bi Br2.12 Cl2.88 N2 - Comments: Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L. (C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties CrystEngComm 26(3) (2024) 312-323 Space group: A e a 2 Cell volume: 2950.12 Cell parameters: 17.7119; 22.0532; 7.5527; 90; 90; 90;

COD ID: 7247811
CIF file	Formula: - C4 H16 Bi Br1.15 Cl3.85 N2 - Comments: Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L. (C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties CrystEngComm 26(3) (2024) 312-323 Space group: A e a 2 Cell volume: 2910.63 Cell parameters: 17.6291; 21.9787; 7.512; 90; 90; 90;

COD ID: 7248548

CIF file

Formula: - C17 H24 Br2 N2 O7 Zn2 -
Comments: Middya, Puspendu; Frontera, Antonio; Chattopadhyay, Shouvik The crucial role of hydrogen bonding in shaping the structures of zinc-based coordination polymers using tridentate N, N, O donor reduced Schiff base ligands and bridging acetates RSC Advances 14(20) (2024) 13905-13914
Space group: A e a 2
Cell volume: 5067
Cell parameters: 14.662; 16.055; 21.525; 90; 90; 90;

COD ID: 7701604

CIF file

Formula: - C29 H38 I7 N3 Pb2 -
Comments: Venkatesan, Naveen R.; Mahdi, Ali; Barraza, Brian; Wu, Guang; Chabinyc, Michael L.; Seshadri, Ram Enhanced yield-mobility products in hybrid halide Ruddlesden-Popper compounds with aromatic ammonium spacers. Dalton transactions (Cambridge, England : 2003) 48(37) (2019) 14019-14026
Space group: A e a 2
Cell volume: 4199.4
Cell parameters: 8.7633; 55.03; 8.7081; 90; 90; 90;

COD ID: 7701798

CIF file

Formula: - C17 H18 N2 O4 -
Comments: Hu, Min-Na; Zhang, Wen-Qian; Liu, Hua; He, Peng-Xiu; Liu, Ping; Wang, Yao-Yu; Li, Jian-Li Five complexes based on a new racemic tetraoxaspiro ligand: correlation of potential coordination preferences with the structure, magnetic properties and luminescence properties. Dalton transactions (Cambridge, England : 2003) 48(12) (2019) 3862-3873
Space group: A e a 2
Cell volume: 1529.1
Cell parameters: 24.479; 10.978; 5.6901; 90; 90; 90;

COD ID: 7702007

CIF file

Formula: - C56 H49.5 Cl4 N14.5 O16 Zn2 -
Comments: Bodman, Samantha E.; Fitchett, Christopher M. Conformational control of the self-assembly of triple helicates and [2 ×2]-grids from zinc(II) and 3,6-di(2-pyridyl)pyridazine based ligands. Dalton transactions (Cambridge, England : 2003) 43(33) (2014) 12606-12613
Space group: A e a 2
Cell volume: 11838.8
Cell parameters: 24.6982; 22.0178; 21.7705; 90; 90; 90;

COD ID: 7702048

CIF file

Formula: - C38 H44 N2 O2 -
Comments: Kan, Chao; Ge, Jilei; Ma, Haiyan Aluminum methyl, alkoxide and α-alkoxy ester complexes supported by 6,6'-dimethylbiphenyl-bridged salen ligands: synthesis, characterization and catalysis for rac-lactide polymerization. Dalton transactions (Cambridge, England : 2003) 45(15) (2016) 6682-6695
Space group: A e a 2
Cell volume: 3214.1
Cell parameters: 9.975; 30.06; 10.719; 90; 90; 90;

COD ID: 7702093
CIF file	Formula: - C29.5 H34 Cl2 F2 N P Pt - Comments: Shaw, Paul A.; Phillips, Jessica M.; Clarkson, Guy J.; Rourke, Jonathan P. Trapping five-coordinate platinum(iv) intermediates. Dalton transactions (Cambridge, England : 2003) 45(28) (2016) 11397-11406 Space group: A e a 2 Cell volume: 5741.26 Cell parameters: 18.2105; 17.9198; 17.5935; 90; 90; 90;

COD ID: 7702128

CIF file

Formula: - C18 H10 N10 O8 Zn2 -
Comments: Li, Qin; Yu, Mei-Hui; Xu, Jian; Li, Ai-Lin; Hu, Tong-Liang; Bu, Xian-He Two new metal-organic frameworks based on tetrazole-heterocyclic ligands accompanied by in situ ligand formation. Dalton transactions (Cambridge, England : 2003) 46(10) (2017) 3223-3228
Space group: A e a 2
Cell volume: 7770.4
Cell parameters: 17.8735; 20.9554; 20.7462; 90; 90; 90;

COD ID: 7702130

CIF file

Formula: - C60 H68 Br Fe N8 -
Comments: Simler, Thomas; Danopoulos, Andreas A.; Braunstein, Pierre Non-symmetrical, potentially redox non-innocent imino NHC pyridine 'pincers' via a zinc ion template-assisted synthesis. Dalton transactions (Cambridge, England : 2003) 46(18) (2017) 5955-5964
Space group: A e a 2
Cell volume: 13269.8
Cell parameters: 23.9792; 29.3525; 18.8532; 90; 90; 90;

COD ID: 7702163

CIF file

Formula: - C34 H42 Mo N4 O7 -
Comments: Begines, Emilio; Carrasco, Carlos J.; Montilla, Francisco; Álvarez, Eleuterio; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Galindo, Agustín Oxidoperoxidomolybdenum(vi) complexes with acylpyrazolonate ligands: synthesis, structure and catalytic properties. Dalton transactions (Cambridge, England : 2003) 47(1) (2017) 197-208
Space group: A e a 2
Cell volume: 3432.18
Cell parameters: 9.7458; 20.3853; 17.2757; 90; 90; 90;

COD ID: 7702164

CIF file

Formula: - C34 H42 Mo N4 O6 -
Comments: Begines, Emilio; Carrasco, Carlos J.; Montilla, Francisco; Álvarez, Eleuterio; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Galindo, Agustín Oxidoperoxidomolybdenum(vi) complexes with acylpyrazolonate ligands: synthesis, structure and catalytic properties. Dalton transactions (Cambridge, England : 2003) 47(1) (2017) 197-208
Space group: A e a 2
Cell volume: 3389.2
Cell parameters: 9.5954; 20.5989; 17.1471; 90; 90; 90;

COD ID: 7702175

CIF file

Formula: - C4 H14 Br4 Cd Cl2 N2 -
Comments: Chen, Hai-Peng; Shi, Ping-Ping; Wang, Zhong-Xia; Gao, Ji-Xing; Zhang, Wan-Ying; Chen, Cheng; Tang, Yuan-Yuan; Fu, Da-Wei Tunable dielectric transitions in layered organic-inorganic hybrid perovskite-type compounds: [NH3(CH2)2Cl]2[CdCl4-4xBr4x] (x = 0, 1/4, 1). Dalton transactions (Cambridge, England : 2003) 47(20) (2018) 7005-7012
Space group: A e a 2
Cell volume: 1533
Cell parameters: 7.9926; 24.108; 7.956; 90; 90; 90;

COD ID: 7702176

CIF file

Formula: - C4 H14 Br Cd Cl5 N2 -
Comments: Chen, Hai-Peng; Shi, Ping-Ping; Wang, Zhong-Xia; Gao, Ji-Xing; Zhang, Wan-Ying; Chen, Cheng; Tang, Yuan-Yuan; Fu, Da-Wei Tunable dielectric transitions in layered organic-inorganic hybrid perovskite-type compounds: [NH3(CH2)2Cl]2[CdCl4-4xBr4x] (x = 0, 1/4, 1). Dalton transactions (Cambridge, England : 2003) 47(20) (2018) 7005-7012
Space group: A e a 2
Cell volume: 1430.5
Cell parameters: 7.6707; 24.6215; 7.5742; 90; 90; 90;

COD ID: 7702177

CIF file

Formula: - C4 H14 Br Cd Cl5 N2 -
Comments: Chen, Hai-Peng; Shi, Ping-Ping; Wang, Zhong-Xia; Gao, Ji-Xing; Zhang, Wan-Ying; Chen, Cheng; Tang, Yuan-Yuan; Fu, Da-Wei Tunable dielectric transitions in layered organic-inorganic hybrid perovskite-type compounds: [NH3(CH2)2Cl]2[CdCl4-4xBr4x] (x = 0, 1/4, 1). Dalton transactions (Cambridge, England : 2003) 47(20) (2018) 7005-7012
Space group: A e a 2
Cell volume: 1416
Cell parameters: 7.649; 24.42; 7.579; 90; 90; 90;

COD ID: 7702182

CIF file

Formula: - C20 H20 Mn N2 -
Comments: Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C. Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity. Dalton transactions (Cambridge, England : 2003) 47(15) (2018) 5171-5180
Space group: A e a 2
Cell volume: 1743.3
Cell parameters: 7.8832; 17.663; 12.5197; 90; 90; 90;

COD ID: 7702208
CIF file	Formula: - C78 H86 Cl4 N12 O Zn2 - Comments: Dammann, Wiebke; Buban, Tabea; Schiller, Carl; Burger, Peter Dinuclear tethered pyridine, diimine complexes. Dalton transactions (Cambridge, England : 2003) 47(35) (2018) 12105-12117 Space group: A e a 2 Cell volume: 7710 Cell parameters: 16.956; 19.724; 23.052; 90; 90; 90;

COD ID: 7702228

CIF file

Formula: - C67 H74 Cl2 O4 P4 Ru2 S8 -
Comments: Zain Aldin, Mohammed; Maho, Anthony; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel Synthesis, characterization, and catalytic evaluation of ruthenium-diphosphine complexes bearing xanthate ligands. Dalton transactions (Cambridge, England : 2003) 47(39) (2018) 13926-13938
Space group: A e a 2
Cell volume: 7144.2
Cell parameters: 20.1261; 21.5909; 16.4408; 90; 90; 90;

COD ID: 7702243

CIF file

Formula: - C27 H17 N S -
Comments: Wang, Yue; Xiao, Yu-Ping; Zhou, Yue-Yue; Hu, Cheng-Gui; Tong, Bi-Hai; Ye, Shang-Hui; Mei, Qun-Bo Novel phosphorescent triptycene-based Ir(iii) complexes for organic light-emitting diodes. Dalton transactions (Cambridge, England : 2003) 48(43) (2019) 16289-16297
Space group: A e a 2
Cell volume: 3853.2
Cell parameters: 11.9187; 21.3168; 15.1658; 90; 90; 90;

COD ID: 7702511

CIF file

Formula: - C12 H17 Ag N5 O2.5 -
Comments: Zheng, Shao-Liang; Tong, Ming-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming Syntheses and structures of six chain-, ladder- and grid-like co-ordination polymers constructed from μ-hexamethylenetetramine and silver salts Journal of the Chemical Society, Dalton Transactions (issue 5) (2001) 586
Space group: A e a 2
Cell volume: 2854
Cell parameters: 16.139; 14.005; 12.626; 90; 90; 90;

COD ID: 7702595

CIF file

Formula: - C52 H78 N16 O22 Y2 -
Comments: Bligh, S. W. Annie; Choi, Nick; Evagorou, Evagoras G.; McPartlin, Mary; White, Kenneth N. Dimeric yttrium(iii) and neodymium(iii) macrocyclic complexes: potential catalysts for hydrolysis of double-stranded DNA Journal of the Chemical Society, Dalton Transactions (issue 21) (2001) 3169
Space group: A e a 2
Cell volume: 6281
Cell parameters: 16.677; 20.114; 18.724; 90; 90; 90;

COD ID: 7702930
CIF file	Formula: - C26 H22 Cu N8 O4 - Comments: Yang, Ping; Zhang, Dan-Dan; Wang, Zi-Zhou; Liu, Hui-Zhong; Shi, Qingshan; Xie, Xiao-Bao Copper(II) complexes with NNO ligands: synthesis, crystal structures, DNA cleavage, and anticancer activities Dalton Transactions (2019) Space group: A e a 2 Cell volume: 2413.3 Cell parameters: 12.6731; 18.95; 10.049; 90; 90; 90;

COD ID: 7703534
CIF file	Formula: - C46 H50 B2 N14 O4 W2 - Comments: Frogley, Benjamin J.; Hill, Anthony F. Metal coordination to bipyridyl carbynes. Dalton transactions (Cambridge, England : 2003) 49(10) (2020) 3272-3283 Space group: A e a 2 Cell volume: 11746.8 Cell parameters: 16.0592; 26.216; 27.9017; 90; 90; 90;

COD ID: 7704131

CIF file

Formula: - Al2 H6 K2 O7 -
Comments: Dembowski, Mateusz; Prange, Micah P.; Pouvreau, Maxime; Graham, Trent R.; Bowden, Mark E.; N'Diaye, Alpha; Schenter, Gregory K.; Clark, Sue B.; Clark, Aurora E.; Rosso, Kevin M.; Pearce, Carolyn I. Inference of principal species in caustic aluminate solutions through solid-state spectroscopic characterization. Dalton transactions (Cambridge, England : 2003) 49(18) (2020) 5869-5880
Space group: A e a 2
Cell volume: 766.19
Cell parameters: 10.1605; 7.5416; 9.999; 90; 90; 90;

COD ID: 7704132

CIF file

Formula: - Al2 H6 O7 Rb2 -
Comments: Dembowski, Mateusz; Prange, Micah P.; Pouvreau, Maxime; Graham, Trent R.; Bowden, Mark E.; N'Diaye, Alpha; Schenter, Gregory K.; Clark, Sue B.; Clark, Aurora E.; Rosso, Kevin M.; Pearce, Carolyn I. Inference of principal species in caustic aluminate solutions through solid-state spectroscopic characterization. Dalton transactions (Cambridge, England : 2003) 49(18) (2020) 5869-5880
Space group: A e a 2
Cell volume: 814.93
Cell parameters: 10.3511; 7.6823; 10.2481; 90; 90; 90;

COD ID: 7707082

CIF file

Formula: - La P3 Si -
Comments: 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 LnSiP3 (Ln = La and Ce) induced by distortions of phosphorus square layers. Dalton transactions (Cambridge, England : 2003) 50(19) (2021) 6463-6476
Space group: A e a 2
Cell volume: 874.8
Cell parameters: 5.965; 25.2125; 5.8168; 90; 90; 90;

COD ID: 7707085

CIF file

Formula: - Ce P3 Si -
Comments: 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 LnSiP3 (Ln = La and Ce) induced by distortions of phosphorus square layers. Dalton transactions (Cambridge, England : 2003) 50(19) (2021) 6463-6476
Space group: A e a 2
Cell volume: 854.57
Cell parameters: 5.8961; 25.0987; 5.7747; 90; 90; 90;

COD ID: 7707327

CIF file

Formula: - C56 H51 Au3 N3 P3 -
Comments: 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) 50(23) (2021) 8154-8166
Space group: A e a 2
Cell volume: 10869.1
Cell parameters: 36.692; 21.4267; 13.825; 90; 90; 90;

COD ID: 7707539

CIF file

Formula: - C40 H36 N2 O4 P2 Zn -
Comments: Yadav, Ravi; Dahlen, Milena; Singh, Akhil K.; Sun, Xiaofei; Gamer, Michael T.; Roesky, Peter W. Nonanuclear zinc-gold [Zn3Au6] heterobimetallic complexes. Dalton transactions (Cambridge, England : 2003) 50(24) (2021) 8558-8566
Space group: A e a 2
Cell volume: 3596.6
Cell parameters: 26.0998; 17.2345; 7.9957; 90; 90; 90;

COD ID: 7708252

CIF file

Formula: - C8 H20 N2 O2 Sn -
Comments: 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)
Space group: A e a 2
Cell volume: 1205.02
Cell parameters: 11.8081; 10.1306; 10.0735; 90; 90; 90;

COD ID: 7709499
CIF file	Formula: - C21 H26 Br2 N2 Se - Comments: Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes Dalton Transactions (2022) Space group: A e a 2 Cell volume: 2131.77 Cell parameters: 18.5263; 15.6201; 7.3666; 90; 90; 90;

COD ID: 7710410

CIF file

Formula: - C8 H32 Cd2 N2 O12 P6 -
Comments: Mączka, Mirosław; Gągor, Anna; Stefańska, Dagmara; Zaręba, Jan K.; Pikul, Adam Structural, magnetic and photoluminescence properties of new hybrid hypophosphites: discovery of the first noncentrosymmetric and two cobalt-based members Dalton Transactions (2022)
Space group: A e a 2
Cell volume: 2445.8
Cell parameters: 12.8565; 13.9166; 13.6699; 90; 90; 90;

COD ID: 7710543
CIF file	Formula: - C24 H27 Cl3 Ga O P - Comments: Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids Dalton Transactions (2022) Space group: A e a 2 Cell volume: 5061.8 Cell parameters: 19.5931; 19.2681; 13.408; 90; 90; 90;

COD ID: 7710807

CIF file

Formula: - C28 H60 I2 N10 Sm -
Comments: Bokouende, Sergely Steephen; Jenks, Tyler C.; Ward, Cassandra L.; Allen, Matthew J. Solid-state and solution-phase characterization of SmII-aza[2.2.2]cryptate and its methylated analogue. Dalton transactions (Cambridge, England : 2003) 51(29) (2022) 10852-10855
Space group: A e a 2
Cell volume: 3615.2
Cell parameters: 19.4034; 18.0204; 10.3393; 90; 90; 90;

COD ID: 7710942

CIF file

Formula: - C22 H48 B2 Cl2 F6 N6 O14 P4 Pt2 S2 -
Comments: Culpepper, Johnathan D.; Lee, Kyounghoon; Portis, William; Swenson, Dale C.; Daly, Scott R. Fluorination and hydrolytic stability of water-soluble platinum complexes with a borane-bridged diphosphoramidite ligand Dalton Transactions (2022)
Space group: A e a 2
Cell volume: 9073.6
Cell parameters: 25.9286; 18.9042; 18.5116; 90; 90; 90;

COD ID: 7712105

CIF file

Formula: - C21 H21 N O4 -
Comments: McEllin, Alice Jane; Goult, Christopher A.; Whitwood, Adrian C.; Lynam, Jason M.; Bruce, Duncan W. On the mercuration, palladation, transmetalation and direct auration of a C^N^C pincer ligand. Dalton transactions (Cambridge, England : 2003) 52(4) (2023) 872-876
Space group: A e a 2
Cell volume: 1830.83
Cell parameters: 17.123; 14.4934; 7.3773; 90; 90; 90;

COD ID: 7713541
CIF file	Formula: - C24 H34 N2 - Comments: Roesky, Herbert W.; Huo, Shuai-Cong; Li, Yao; Ji, Peng-Fei; Zhang, De-Xiang; Yang, Ying Interaction of Germanium Analogue of Organic Isonitrile with Cu(I) imide in Side-on Mode Dalton Transactions (2023) Space group: A e a 2 Cell volume: 2212.17 Cell parameters: 16.1758; 14.0586; 9.7277; 90; 90; 90;

COD ID: 7714022
CIF file	Formula: - C62 H82 B2 Fe N6 - Comments: Guthardt, Robin; Jacob, Hannes Lukas; Bruhn, Clemens; Siemeling, Ulrich A complete series of N-heterocyclic tetrylenes (Si – Pb) with a 1,1’-ferrocenediyl backbone enabled by 1,3,2-diazaborolyl N-substituents Dalton Transactions (2023) Space group: A e a 2 Cell volume: 5592.7 Cell parameters: 8.974; 29.2515; 21.3053; 90; 90; 90;

COD ID: 7714210
CIF file	Formula: - C8 H22 Cl4 Co N4 O3 Zn2 - Comments: Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M. Synthesis of Nitrogen Mustards on Cobalt(III) Dalton Transactions (2023) Space group: A e a 2 Cell volume: 3813.94 Cell parameters: 25.8579; 11.1659; 13.2095; 90; 90; 90;

COD ID: 7714230
CIF file	Formula: - C21 H16 N2 O3 - Comments: Kamboj, Nisha; Dey, Ayan; Lama, Prem; Majumder, Moumita; Sengupta, Srijan; Metre, Ramesh K. Closed-shell Phenalenyl-based Dinuclear Iron(III) Complex as a Robust Cathode for One-Compartment H2O2 Fuel Cell Dalton Transactions (2023) Space group: A e a 2 Cell volume: 3348 Cell parameters: 16.38; 29.87; 6.843; 90; 90; 90;

COD ID: 7714517
CIF file	Formula: - C32 H44 Si2 Sn2 - Comments: Bischoff, Inga-Alexandra; Morgenstern, Bernd; Zimmer, Michael; Koldemir, Aylin; Pöttgen, Rainer; Schäfer, André Bis(tetrelocenes) - fusing tetrelocenes into close proximity. Dalton transactions (Cambridge, England : 2003) (2023) Space group: A e a 2 Cell volume: 3105.1 Cell parameters: 16.7596; 21.3357; 8.6837; 90; 90; 90;

COD ID: 7715812
CIF file	Formula: - C28 H26 Fe N6 Se2 - Comments: Dou, Diyu; Qi, Dafan; Zhao, Tianyuan; Zheng, Peng Xuan; Bao, Xin Design and Characterization of Fe(II) Complexes with Tetradentate Ligands Exhibiting Spin-Crossover Near Room Temperature Dalton Transactions (2024) Space group: A e a 2 Cell volume: 2615.4 Cell parameters: 13.5008; 24.067; 8.0492; 90; 90; 90;

COD ID: 7715813
CIF file	Formula: - C28 H26 Fe N6 Se2 - Comments: Dou, Diyu; Qi, Dafan; Zhao, Tianyuan; Zheng, Peng Xuan; Bao, Xin Design and Characterization of Fe(II) Complexes with Tetradentate Ligands Exhibiting Spin-Crossover Near Room Temperature Dalton Transactions (2024) Space group: A e a 2 Cell volume: 2746.8 Cell parameters: 13.6833; 24.3553; 8.2423; 90; 90; 90;

COD ID: 8104589
CIF file	Formula: - C20 H28 N6 O3 - Comments: 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 236(6) (2021) 1295-1296 Space group: A e a 2 Cell volume: 2097.9 Cell parameters: 19.9676; 8.4674; 12.4082; 90; 90; 90;

COD ID: 8105128
CIF file	Formula: - C30 H28 N6 O4 Zn - Comments: Deng, Xiao-Wei; Wu, Wei-Na Crystal structure of bis(3-methoxy-N-(1-(pyridin-2-yl)ethylidene)benzohydrazonato κ3 O,N,N′)zinc(II), C30H28N6O4Zn Zeitschrift für Kristallographie - New Crystal Structures 235(2) (2020) 421-422 Space group: A e a 2 Cell volume: 2814 Cell parameters: 12.04; 22.596; 10.344; 90; 90; 90;

COD ID: 8105226
CIF file	Formula: - C28 H26 N8 Ni O2 - Comments: Yang, Xue-Mei; Zhu, Tao; Lin, Long Crystal structure of bis(3-methyl-N-(1-(pyrazin-2-yl)ethylidene)benzohydrazonato-κ3 O,N,N′)nickel(II), C28H26N8O2Ni Zeitschrift für Kristallographie - New Crystal Structures 235(3) (2020) 585-586 Space group: A e a 2 Cell volume: 2539 Cell parameters: 11.813; 21.433; 10.03; 90; 90; 90;

COD ID: 8105280

CIF file

Formula: - C24 H22 Co N8 O4 S2 -
Comments: Wang, Wan-Wan; Deng, Xiao-Wei; Wu, Wei-Na Crystal structure of bis [1-(phenylsulfonyl)-2-(1-(pyrazin-2-yl)ethylidene)hydrazin-1-ido-κ3 N,N′,O]cobalt(II), C24H22N8O4S2Co Zeitschrift für Kristallographie - New Crystal Structures 235(4) (2020) 763-764
Space group: A e a 2
Cell volume: 2605.9
Cell parameters: 12.043; 21.723; 9.961; 90; 90; 90;

COD ID: 8105987
CIF file	Formula: - C9 H8 N4 O7 - Comments: Lizhen, Chen; Yunzhang, Liu; Jianlong, Wang; Jun, Chen; Hongxia, Pan The crystal structure of propan-2-one O-(2,4,6-trinitrophenyl) oxime, C9H8N4O7 Zeitschrift für Kristallographie - New Crystal Structures 234(6) (2019) 1223-1224 Space group: A e a 2 Cell volume: 2391.5 Cell parameters: 21.0595; 14.8565; 7.6437; 90; 90; 90;

COD ID: 8106176
CIF file	Formula: - C21 H15 N O2 - Comments: Huang, Xiang; Shi, Da-Bin Crystal structure of methyl 10-(pyridin-4-yl)-anthracene-9-carboxylate, C21H15NO2 Zeitschrift für Kristallographie - New Crystal Structures 233(3) (2018) 441-443 Space group: A e a 2 Cell volume: 3140.2 Cell parameters: 22.149; 13.2899; 10.6679; 90; 90; 90;

COD ID: 8106185
CIF file	Formula: - C24 H22 N8 Ni O4 S2 - Comments: Wu, Hao; Wu, Wei-Na Crystal structure of bis(1-(phenylsulfonyl)-2-(1-(pyrazin-2-yl)ethylidene)hydrazin-1-ido-κ3 N,N′,O)nickel(II), C24H22N8O4S2Ni Zeitschrift für Kristallographie - New Crystal Structures 233(3) (2018) 465-466 Space group: A e a 2 Cell volume: 2574 Cell parameters: 11.845; 21.937; 9.907; 90; 90; 90;

COD ID: 8106186

CIF file

Formula: - C24 H22 Cu N8 O4 S2 -
Comments: Wang, Wan-Wan; Wu, Wei-Na; Wang, Yuan Crystal Structure of bis(1-(phenylsulfonyl)-2-(1-(pyrazin-2-yl)ethylidene)hydrazin-1-ido-κ3 N,N′,O)copper(II), C24H22N8O4S2Cu Zeitschrift für Kristallographie - New Crystal Structures 233(3) (2018) 467-468
Space group: A e a 2
Cell volume: 2635.2
Cell parameters: 11.9395; 21.813; 10.1184; 90; 90; 90;

COD ID: 8106254
CIF file	Formula: - C24 H20 Cu N10 O2 - Comments: Li, Qingqing; Jiao, Kaichuang; Xu, Zhouqing Crystal structure of bis(N-(1-(pyrazin-2-yl)ethylidene)nicotinohydrazonato-κ3 N,N′,O)copper(II) C24H20N10O2Cu Zeitschrift für Kristallographie - New Crystal Structures 233(4) (2018) 669-670 Space group: A e a 2 Cell volume: 2314.1 Cell parameters: 12.2281; 19.176; 9.8689; 90; 90; 90;

COD ID: 8106398
CIF file	Formula: - C16 H14 O5 - Comments: Maxweel, Lindley; Cárdenas, Alejandro; Brito, Iván Crystal structure of dimethyl 4,4′-oxydibenzoate, C16H14O5 Zeitschrift für Kristallographie - New Crystal Structures 233(6) (2018) 1059-1060 Space group: A e a 2 Cell volume: 1384.98 Cell parameters: 7.4156; 31.415; 5.9451; 90; 90; 90;

COD ID: 8106596

CIF file

Formula: - C15 H23 N7 O4 -
Comments: Amr, Abd El-Galil E.; Khalifa, Nagy M.; Al-Omar, Mohamed A.; Ghabbour, Hazem A. Crystal structure of N 2,N 6-bis(1-hydrazinyl-2-methyl-1-oxopropan-2-yl) pyridine-2,6-dicarboxamide, C15H23N7O4 Zeitschrift für Kristallographie - New Crystal Structures 232(4) (2017) 537-539
Space group: A e a 2
Cell volume: 3618
Cell parameters: 18.4956; 23.9806; 8.1572; 90; 90; 90;

COD ID: 9010972
CIF file	Formula: - O2 S - Comments: Post, B.; Schwartz, R. S.; Fankuchen, I. The crystal structure of sulfur dioxide Sample: T = -130 C Acta Crystallographica 5 (1952) 372-374 Space group: A e a 2 Cell volume: 221.383 Cell parameters: 6.07; 5.94; 6.14; 90; 90; 90;

COD ID: 9011411
CIF file	Formula: - B5 K O12 - Comments: Zachariasen, W. H. The crystal structure of potassium acid dihydronium pentaborate KH2(H3O)2B5O10, (potassium pentaborate tetrahydrate) Locality: synthetic Zeitschrift fur Kristallographie 98 (1937) 266-274 Space group: A e a 2 Cell volume: 1107.18 Cell parameters: 11.08; 11.14; 8.97; 90; 90; 90;

COD ID: 9011424
CIF file	Formula: - As8 Hg3 S20 Sb2 Tl4 - Comments: Ohmasa, M.; Nowacki, W. The crystal structure of vrbaite, Hg3Tl4As8Sb2S20 Locality: Allchar, Macedonia Zeitschrift fur Kristallographie 134 (1971) 360-380 Space group: A e a 2 Cell volume: 3537.22 Cell parameters: 11.287; 23.389; 13.399; 90; 90; 90;

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