Search results

Formula: - C14 H22 N4 O6 Zn -
Comments: Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan 'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole' Polyhedron 23 (2004) 1505-1518
Space group: P 43 21 2
Cell volume: 1904.8
Cell parameters: 10.7634; 10.7634; 16.442; 90; 90; 90;

COD ID: 1100862
CIF file	Formula: - C11 H20 Au Cl N2 - Comments: de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P. Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes Organometallics 24(10) (2005) 2411-2418 Space group: P 43 21 2 Cell volume: 1348.26 Cell parameters: 8.084; 8.084; 20.631; 90; 90; 90;

COD ID: 1501566
CIF file	Formula: - C18 H14 O4 - Comments: Hung Dang; Thierry Maris; Ji-Hyun Yi; Federico Rosei; Antonio Nancy; James D. Wuest Ensuring Homology between 2D and 3D Molecular Crystals Langmuir 23 (2007) 11980-11985 Space group: P 43 21 2 Cell volume: 1339.54 Cell parameters: 9.7778; 9.7778; 14.0111; 90; 90; 90;

COD ID: 1502430
CIF file	Formula: - C14 H18 N2 O2 - Comments: Pandey, Ganesh; C, Prasanna Kumara Iminium ion cascade reaction in the total synthesis of (+)-vincadifformine. Organic letters 13(17) (2011) 4672-4675 Space group: P 43 21 2 Cell volume: 2504.4 Cell parameters: 11.0581; 11.0581; 20.481; 90; 90; 90;

COD ID: 1503251
CIF file	Formula: - C33 H40 Au Cl N2 - Comments: Seo, Hwimin; Roberts, Benjamin P.; Abboud, Khalil A.; Merz, Jr, Kenneth M; Hong, Sukwon Novel acyclic diaminocarbene ligands with increased steric demand and their application in gold catalysis. Organic letters 12(21) (2010) 4860-4863 Space group: P 43 21 2 Cell volume: 2661.08 Cell parameters: 10.5907; 10.5907; 23.7251; 90; 90; 90;

COD ID: 1503341
CIF file	Formula: - C30 H34 O5 - Comments: Fu, Hui-Zheng; Luo, Yong-Ming; Li, Chuang-Jun; Yang, Jing-Zhi; Zhang, Dong-Ming Psidials A-C, three unusual meroterpenoids from the leaves of Psidium guajava L. Organic letters 12(4) (2010) 656-659 Space group: P 43 21 2 Cell volume: 5107.7 Cell parameters: 11.196; 11.196; 40.747; 90; 90; 90;

COD ID: 1504069
CIF file	Formula: - C34 H36 F6 Mn N4 O6 S2 - Comments: Wu, Mei; Wang, Bin; Wang, Shoufeng; Xia, Chungu; Sun, Wei Asymmetric epoxidation of olefins with chiral bioinspired manganese complexes. Organic letters 11(16) (2009) 3622-3625 Space group: P 43 21 2 Cell volume: 3589 Cell parameters: 15.0588; 15.0588; 15.827; 90; 90; 90;

COD ID: 1504571

Formula: - C15 H16 Br N O -
Comments: Lee, Ernest E.; Rovis, Tomislav Enantioselective synthesis of indolizidines bearing quaternary substituted stereocenters via rhodium-catalyzed [2+2+2] cycloaddition of alkenyl isocyanates and terminal alkynes. Organic letters 10(6) (2008) 1231-1234
Space group: P 43 21 2
Cell volume: 2661.4
Cell parameters: 6.7025; 6.7025; 59.243; 90; 90; 90;

COD ID: 1505304

Formula: - C48 H42 F12 N4 O4 S2 Zn -
Comments: Honjo, Takashi; Nakao, Michiyasu; Sano, Shigeki; Shiro, Motoo; Yamaguchi, Kentaro; Sei, Yoshihisa; Nagao, Yoshimitsu Nonenzymatic enantioselective monoacetylation of prochiral 2-protectedamino-2-alkyl-1,3-propanediols utilizing a chiral sulfonamide-Zn complex catalyst. Organic letters 9(3) (2007) 509-512
Space group: P 43 21 2
Cell volume: 4800
Cell parameters: 13.3076; 13.3076; 27.1044; 90; 90; 90;

COD ID: 1505560
CIF file	Formula: - C46 H54 N2 O7 S2 - Comments: Harmata, Michael; Chen, Yugang; Barnes, Charles L. Benzothiazines in organic synthesis. Stereoselectivity in the intermolecular Michael addition reactions of benzothiazines. Organic letters 9(23) (2007) 4701-4704 Space group: P 43 21 2 Cell volume: 8581.9 Cell parameters: 15.0309; 15.0309; 37.985; 90; 90; 90;

COD ID: 1505605
CIF file	Formula: - C27 H36 O5 Si - Comments: Figueroa, Ruth; Hsung, Richard P.; Guevarra, Christle C. An enantioselective total synthesis of (+)-aigialospirol. Organic letters 9(23) (2007) 4857-4859 Space group: P 43 21 2 Cell volume: 5084.3 Cell parameters: 9.5921; 9.5921; 55.2591; 90; 90; 90;

COD ID: 1506034
CIF file	Formula: - C78 H85 N7 O8 - Comments: Aakeröy, Christer B; Schultheiss, Nate; Desper, John C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules. Organic letters 8(12) (2006) 2607-2610 Space group: P 43 21 2 Cell volume: 6707.4 Cell parameters: 18.3708; 18.3708; 19.8745; 90; 90; 90;

COD ID: 1507167

Formula: - C144 H247 O126 Rb5 -
Comments: Gassensmith, Jeremiah J.; Smaldone, Ronald A.; Forgan, Ross S.; Wilmer, Christopher E.; Cordes, David B.; Botros, Youssry Y.; Slawin, Alexandra M. Z.; Snurr, Randall Q.; Stoddart, J. Fraser Polyporous Metal-Coordination Frameworks. Organic letters 14(6) (2012) 1460-1463
Space group: P 43 21 2
Cell volume: 27972.2
Cell parameters: 27.1653; 27.1653; 37.9051; 90; 90; 90;

COD ID: 1507377
CIF file	Formula: - C20 H20 N2 O4 S2 - Comments: Azumaya, Isao; Kato, Takako; Okamoto, Iwao; Yamasaki, Ryu; Tanatani, Aya; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Takayanagi, Hiroaki Absolute helical arrangement of sulfonamide in the crystal. Organic letters 5(21) (2003) 3939-3942 Space group: P 43 21 2 Cell volume: 1952.6 Cell parameters: 8.475; 8.475; 27.185; 90; 90; 90;

COD ID: 1507941
CIF file	Formula: - C35 H50 O10 Si2 - Comments: Tanino, Keiji; Takahashi, Motomasa; Tomata, Yoshihide; Tokura, Hiroshi; Uehara, Taketo; Narabu, Takashi; Miyashita, Masaaki Total synthesis of solanoeclepin A. Nature chemistry 3(6) (2011) 484-488 Space group: P 43 21 2 Cell volume: 7521.5 Cell parameters: 16.4998; 16.4998; 27.6279; 90; 90; 90;

COD ID: 1507957

Formula: - C33 H47 Br O6 Si -
Comments: Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E. Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities. Nature chemistry 3(8) (2011) 615-619
Space group: P 43 21 2
Cell volume: 6717.2
Cell parameters: 10.018; 10.018; 66.931; 90; 90; 90;

COD ID: 1508626
CIF file	Formula: - C34 H30 Br N3 O6 S - Comments: Cai, Quan; Liu, Chuan; Liang, Xiao-Wei; You, Shu-Li Enantioselective construction of pyrroloindolines via chiral phosphoric acid catalyzed cascade Michael addition-cyclization of tryptamines. Organic letters 14(17) (2012) 4588-4590 Space group: P 43 21 2 Cell volume: 6136 Cell parameters: 10.0277; 10.0277; 61.0217; 90; 90; 90;

COD ID: 1508726
CIF file	Formula: - C48 H54 O6 - Comments: Feldman, Ken S.; Selfridge, Brandon R. Enantioselective synthesis of the ent-lomaiviticin A bicyclic core. Organic letters 14(21) (2012) 5484-5487 Space group: P 43 21 2 Cell volume: 4282 Cell parameters: 8.966; 8.966; 53.26; 90; 90; 90;

COD ID: 1508816
CIF file	Formula: - Mn O8 Pb S2 - Comments: West, D.V.; Posen, I.D.; Huang, Q.; Zandbergen, H.W.; McQueen, T.M.; Cava, R.J. PbMn(SO4)2: A new chiral antiferromagnet Journal of Solid State Chemistry 182(9) (2009) 2461 Space group: P 43 21 2 Cell volume: 627.07 Cell parameters: 6.74975; 6.74975; 13.76388; 90; 90; 90;

COD ID: 1511525
CIF file	Formula: - B44.57 Sc2.27 Si0.41 - Comments: Tanaka, T.; Sato, A. Floating zone crystal growth and structure analysis of a novel Sc B19 family compound, Sc B19+x Siy Journal of Solid State Chemistry 160 (2001) 394-400 Space group: P 43 21 2 Cell volume: 1515.11 Cell parameters: 10.3081; 10.3081; 14.2589; 90; 90; 90;

COD ID: 1511823
CIF file	Formula: - C12 H20 Cd N6 O6 - Comments: Colaneri, Michael J.; Vitali, Jacqueline; Kirschbaum, Kristin Electron Paramagnetic Resonance Spectroscopic Study of Copper Hopping in Doped Bis(l-histidinato)cadmium Dihydrate. The journal of physical chemistry. A 117(16) (2013) 3414-3427 Space group: P 43 21 2 Cell volume: 1658.23 Cell parameters: 7.3625; 7.3625; 30.591; 90; 90; 90;

COD ID: 1511824
CIF file	Formula: - C12 H20 Cd N6 O6 - Comments: Colaneri, Michael J.; Vitali, Jacqueline; Kirschbaum, Kristin Electron Paramagnetic Resonance Spectroscopic Study of Copper Hopping in Doped Bis(l-histidinato)cadmium Dihydrate. The journal of physical chemistry. A 117(16) (2013) 3414-3427 Space group: P 43 21 2 Cell volume: 1646 Cell parameters: 7.3515; 7.3515; 30.456; 90; 90; 90;

COD ID: 1513020
CIF file	Formula: - C28 H32 Ba2 Cd N6 O18 - Comments: Yuan-Yuan Huang; Xin Zhang; Yuan-Gen Yao Employing heterometallic trinuclear cluster as building subunit to construct a new coordination polymer with rare 3D inorganic -Cd-O-Ba- connectivity Inorganica Chimica Acta 397 (2013) 38-41 Space group: P 43 21 2 Cell volume: 4222.99 Cell parameters: 17.7647; 17.7647; 13.3815; 90; 90; 90;

COD ID: 1513306
CIF file	Formula: - C19 H26 O7 - Comments: Nie, Li-Yue; Qin, Jiang-Jiang; Huang, Ying; Yan, Lan; Liu, Yu-Bo; Pan, Yue-Xing; Jin, Hui-Zi; Zhang, Wei-Dong Sesquiterpenoids fromInula lineariifoliaInhibit Nitric Oxide Production Journal of Natural Products 73(6) (2010) 1117-1120 Space group: P 43 21 2 Cell volume: 3692.7 Cell parameters: 9.3534; 9.3534; 42.209; 90; 90; 90;

COD ID: 1514719

Formula: - C34 H41 Ga Mo N2 O5 -
Comments: Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science 4(11) (2013) 4245
Space group: P 43 21 2
Cell volume: 3456.19
Cell parameters: 9.083; 9.083; 41.8928; 90; 90; 90;

COD ID: 1514892
CIF file	Formula: - C23 H19 N7 - Comments: Lang, Christiane; Pahnke, Kai; Kiefer, Claude; Goldmann, Anja S.; Roesky, Peter W.; Barner-Kowollik, Christopher Consecutive modular ligation as an access route to palladium containing polymers Polymer Chemistry 4(21) (2013) 5456 Space group: P 43 21 2 Cell volume: 1966.8 Cell parameters: 6.1133; 6.1133; 52.627; 90; 90; 90;

COD ID: 1515018
CIF file	Formula: - C26 H36 Cl8 I4 N8 O8 - Comments: Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science 3(4) (2012) 1235 Space group: P 43 21 2 Cell volume: 4642.34 Cell parameters: 17.2587; 17.2587; 15.5855; 90; 90; 90;

COD ID: 1516032

Formula: - C48 H33 N3 -
Comments: Gong, Yongyang; Zhang, Yiren; Yuan, Wang Zhang; Sun, Jing Zhi; Zhang, Yongming D‒A Solid Emitter with Crowded and Remarkably Twisted Conformations Exhibiting Multifunctionality and Multicolor Mechanochromism The Journal of Physical Chemistry C 118(20) (2014) 10998
Space group: P 43 21 2
Cell volume: 3657.8
Cell parameters: 10.6097; 10.6097; 32.495; 90; 90; 90;

COD ID: 1516679

Formula: - C70 H98 Mg O13 Zn2 -
Comments: Bluemke, Tobias D.; Clegg, William; García-Alvarez, Pablo; Kennedy, Alan R.; Koszinowski, Konrad; McCall, Matthew D.; Russo, Luca; Hevia, Eva Structural and reactivity insights in Mg‒Zn hybrid chemistry: Zn‒I exchange and Pd-catalysed cross-coupling applications of aromatic substrates Chemical Science 5(9) (2014) 3552
Space group: P 43 21 2
Cell volume: 6598.7
Cell parameters: 12.1808; 12.1808; 44.474; 90; 90; 90;

COD ID: 1516749
CIF file	Formula: - C3 H8 N2 O2 - Comments: Tominey, Alan F.; Docherty, Paul H.; Rosair, Georgina M.; Quenardelle, Romain; Kraft, Arno Unusually weak binding interactions in tetrazole-amidine complexes. Organic letters 8(7) (2006) 1279-1282 Space group: P 43 21 2 Cell volume: 520.57 Cell parameters: 6.4456; 6.4456; 12.53; 90; 90; 90;

COD ID: 1517166

Formula: - C13 H16 Fe N4 O3 -
Comments: Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science 5(10) (2014) 4099
Space group: P 43 21 2
Cell volume: 1477.33
Cell parameters: 7.9922; 7.9922; 23.1283; 90; 90; 90;

COD ID: 1517265

Formula: - C30 H38 O6 -
Comments: Yang, Yong-Xun; Shan, Lei; Liu, Qing-Xin; Shen, Yun-Heng; Zhang, Jian-Ping; Ye, Ji; Xu, Xi-Ke; Li, Hui-Liang; Zhang, Wei-Dong Carpedilactones A-D, Four New Isomeric Sesquiterpene Lactone Dimers with Potent Cytotoxicity from Carpesium faberi. Organic letters 16(16) (2014) 4216-4219
Space group: P 43 21 2
Cell volume: 5403.07
Cell parameters: 14.3442; 14.3442; 26.2596; 90; 90; 90;

COD ID: 1520336
CIF file	Formula: - C36 H81 Dy N3 O12 P3 - Comments: Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B. C36H81DyN3O12P3 Crystal Structure Report Archive (2009) 1242 Space group: P 43 21 2 Cell volume: 10289.3 Cell parameters: 15.3937; 15.3937; 43.421; 90; 90; 90;

COD ID: 1520651

Formula: - C28 H28 O4 S3 -
Comments: Hegab, Mohamed I.; Abdel-Megeid, Farouk M. E.; Gad, Farouk A.; Shiba, Sayed A.; Sotofte, Inger; Moller, Jorgen; Senning, Alexander New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to Dispiro Derivatives of 1,2,4-Trithiolane. Acta Chemica Scandinavica 53 (1999) 133-140
Space group: P 43 21 2
Cell volume: 2547.44
Cell parameters: 10.7929; 10.7929; 21.8689; 90; 90; 90;

COD ID: 1521157
CIF file	Formula: - Al1.03 B22 Be0.67 - Comments: Higashi, I. The crystal structure of Al1.0 Be0.7 B22 Journal of the Less-Common Metals 67 (1979) 7-12 Space group: P 43 21 2 Cell volume: 1477.49 Cell parameters: 10.18; 10.18; 14.257; 90; 90; 90;

COD ID: 1525577

Formula: - C5.5 H18 N10 Np O6.5 S -
Comments: Andreev, G.B.; Fedoseev, A.M.; Budantseva, N.A.; Antipin, M.Yu. Crystal structure and properties of (isothiocyanato) dioxotetrakis(urea) neptunium * hemi(urea) (Np O2 (N C S) (O C (N H2)2)4)2 * O C (N H2)2 Doklady Akad. Nauk 375 (2000) 778-781
Space group: P 43 21 2
Cell volume: 3503.79
Cell parameters: 7.8511; 7.8511; 56.843; 90; 90; 90;

COD ID: 1526837
CIF file	Formula: - Mo4 O22 P4 Rb3 - Comments: Leclaire, A.; Marsh, R.E.; Borel, M.M.; Guesdon, A. Revised space groups for three molybdenum(V) phosphate compounds Journal of Solid State Chemistry 159 (2001) 7-9 Space group: P 43 21 2 Cell volume: 1944.68 Cell parameters: 10.057; 10.057; 19.227; 90; 90; 90;

COD ID: 1527618
CIF file	Formula: - Al1.67 B22 - Comments: Kasper, J.S.; Naslain, R.; Vlasse, M. The alpha-Al B12 structure Journal of Solid State Chemistry 20 (1977) 281-285 Space group: P 43 21 2 Cell volume: 1474.66 Cell parameters: 10.161; 10.161; 14.283; 90; 90; 90;

COD ID: 1528389
CIF file	Formula: - Ge - Comments: Bundy, F.P.; Kasper, J.S. A new dense form of solid germanium Science 139 (1963) 340-341 Space group: P 43 21 2 Cell volume: 245.451 Cell parameters: 5.93; 5.93; 6.98; 90; 90; 90;

COD ID: 1528412
CIF file	Formula: - C6 H18 Ga2 I6 O2 P2 - Comments: Cheng Fei; Codgbrook, H.L.; Webster, M.; Hector, A.L.; Reid, G.; Levason, W.; Zhang Wenjian Gallium(III) halide complexes with phosphines, arsines and phosphine oxides - a comparative study Polyhedron 26 (2007) 4147-4155 Space group: P 43 21 2 Cell volume: 4955.73 Cell parameters: 12.259; 12.259; 32.976; 90; 90; 90;

COD ID: 1528584
CIF file	Formula: - Cd P2 - Comments: Horn, J. Crystal structure and absolute configuration of beta-Cd P2 Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques 17 (1969) 69-74 Space group: P 43 21 2 Cell volume: 552.843 Cell parameters: 5.283; 5.283; 19.808; 90; 90; 90;

COD ID: 1528752

Formula: - C4 H16 K N2 Na O10 S4 -
Comments: Nagel, K.H.; Naeveke, M.; Moers, O.; Lange, I.; Jones, P.G.; Blaschette, A. Polysulfonylamine. CLVIII. Kristallstrukturen von Metall-di(methansulfonyl)amiden. 9. Erhoehung der Kristallsymmetrie durch Kokristallisation: Monoklines Na [(C H3 S O2)2 N].H2 O und tetragonales Na K [(C H3 S O2)2 N]2.2H2 O Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 2877-2886
Space group: P 43 21 2
Cell volume: 3288.1
Cell parameters: 10.696; 10.696; 28.741; 90; 90; 90;

COD ID: 1529916
CIF file	Formula: - P4 S29 Ta4 - Comments: Evain, M.; Queignec, M.; Rouxel, J.; Brec, R. Ta4 P4 S29: A new tunnel structure with inserted polymeric sulfur Journal of Solid State Chemistry 56 (1985) 148-157 Space group: P 43 21 2 Cell volume: 3309.96 Cell parameters: 15.5711; 15.5711; 13.6516; 90; 90; 90;

COD ID: 1530948
CIF file	Formula: - Fe2.95 H2 O10 P2 - Comments: Vencato, I.; Mattievich, E.; Primerano Mascarenhas, Y. Crystal Structure of synthetic lipscombite: A redetermination American Mineralogist 74 (1989) 456-460 Space group: P 43 21 2 Cell volume: 705.998 Cell parameters: 7.31; 7.31; 13.212; 90; 90; 90;

COD ID: 1531947
CIF file	Formula: - C3 H7 Cl3 I0 N O0 Pb - Comments: Wang, Guan-E; Xu, Gang; Wang, Ming-Sheng; Cai, Li-Zhen; Li, Wen-Hua; Guo, Guo-Cong Semiconductive 3-D haloplumbate framework hybrids with high color rendering index white-light emission Chem. Sci. 6(12) (2015) 7222 Space group: P 43 21 2 Cell volume: 1611 Cell parameters: 10.4482; 10.4482; 14.7573; 90; 90; 90;

COD ID: 1535366
CIF file	Formula: - B3 H6 N3 - Comments: Boese, R.; Maulitz, A.H.; Stellberg, P. Solid-state borazine: does it deserve to be entitled "inorganic benzene"? Chemische Berichte 127 (1994) 1887-1889 Space group: P 43 21 2 Cell volume: 486.837 Cell parameters: 5.4626; 5.4626; 16.3149; 90; 90; 90;

COD ID: 1536076
CIF file	Formula: - Hg2 N2 O3 - Comments: Nockemann, P.; Meyer, G. Bildung von N H4 (Hg3 (N H)2)(N O3)3 und Umwandlung in (Hg2 N) (N O3) Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 2709-2714 Space group: P 43 21 2 Cell volume: 2158.69 Cell parameters: 15.4035; 15.4035; 9.0981; 90; 90; 90;

COD ID: 1536403

Formula: - Ba4 K P5 -
Comments: Derrien, G.; Tillard, M.; Manteghetti, A.P.; Belin, C. Phosphorus oligomerization in Zintl phases: synthesis, crystal structure and bonding analysis of mixed alkali and alkaline-earth metal phosphides Zeitschrift fuer Anorganische und Allgemeine Chemie 629 (2003) 1601-1609
Space group: P 43 21 2
Cell volume: 1179.58
Cell parameters: 8.559; 8.559; 16.102; 90; 90; 90;

COD ID: 1539990
CIF file	Formula: - P2 Zn - Comments: Zanin, I.E.; Aleinikova, K.B.; Antipin, M.Yu. Analysis of chemical bonding in the alpha and beta modifications of zinc diphosphide from X-ray diffraction data Kristallografiya 48 (2003) 232-237 Space group: P 43 21 2 Cell volume: 475.631 Cell parameters: 5.0661; 5.0661; 18.532; 90; 90; 90;

COD ID: 1540465

Formula: - C28 H40 O8 -
Comments: Nguyen, Ha T. T.; Truong, Ngan B.; Doan, Huong T. M.; Litaudon, Marc; Retailleau, Pascal; Do, Thao T.; Nguyen, Hung V.; Chau, Minh V.; Pham, Cuong V. Cytotoxic Clerodane Diterpenoids from the Leaves of Casearia grewiifolia. Journal of natural products 78(11) (2015) 2726-2730
Space group: P 43 21 2
Cell volume: 5808.4
Cell parameters: 10.5228; 10.5228; 52.456; 90; 90; 90;

COD ID: 1541667
CIF file	Formula: - C3 H12 Cl Cu N6 S3 - Comments: Bombicz, P.; Madarasz, J.; Mutikainen, I.; Leskela, T.; Krunks, M.; Niinisto, L. Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea complexes Inorganica Chimica Acta 357 (2004) 513-525 Space group: P 43 21 2 Cell volume: 2475.39 Cell parameters: 13.398; 13.398; 13.79; 90; 90; 90;

COD ID: 1541668
CIF file	Formula: - C3 H12 Br Cu N6 S3 - Comments: Bombicz, P.; Mutikainen, I.; Krunks, M.; Niinisto, L.; Madarasz, J.; Leskela, T. Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea complexes Inorganica Chimica Acta 357 (2004) 513-525 Space group: P 43 21 2 Cell volume: 2472.45 Cell parameters: 13.391; 13.391; 13.788; 90; 90; 90;

COD ID: 1541884
CIF file	Formula: - C24 H28 I N O9 - Comments: Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene Chem. Sci. 7(4) (2016) 2717 Space group: P 43 21 2 Cell volume: 5420.1 Cell parameters: 10.52245; 10.52245; 48.9522; 90; 90; 90;

COD ID: 1541891

Formula: - C46 H43 Au B F15 N O P -
Comments: Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci. 7(3) (2016) 2335
Space group: P 43 21 2
Cell volume: 8746
Cell parameters: 14.7478; 14.7478; 40.2121; 90; 90; 90;

COD ID: 1544484

Formula: - C45 H54 N4 O11 -
Comments: Nge, Choy-Eng; Sim, Kae-Shin; Lim, Siew-Huah; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok A Hexacyclic, Iboga-Derived Monoterpenoid Indole with a Contracted Tetrahydroazepine C-Ring and Incorporation of an Isoxazolidine Moiety, a Seco-Corynanthean, an Aspidosperma-Aspidosperma Bisindole with Anticancer Properties, and the Absolute Configuration of the Pyridopyrimidine Indole Alkaloid, Vernavosine. Journal of natural products 79(10) (2016) 2709-2717
Space group: P 43 21 2
Cell volume: 9520.6
Cell parameters: 16.2628; 16.2628; 35.9975; 90; 90; 90;

COD ID: 1545195
CIF file	Formula: - C152 H239 N64 O97 P2 Pt6 - Comments: Sawada, Tomohisa; Yoshizawa, Michito; Sato, Sota; Fujita, Makoto Minimal nucleotide duplex formation in water through enclathration in self-assembled hosts Nature Chemistry 1(1) (2009) 53 Space group: P 43 21 2 Cell volume: 23725 Cell parameters: 28.765; 28.765; 28.673; 90; 90; 90;

COD ID: 1545378
CIF file HKL data	Formula: - C14 H6 Cl2 N2 O4 Ru - Comments: Takase, Tsugiko; Takahashi, Kasumi; Oyama, Dai <i>cis</i>,<i>trans</i>-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) IUCrData 2(2) (2017) x170288 Space group: P 43 21 2 Cell volume: 1531.2 Cell parameters: 8.8003; 8.8003; 19.772; 90; 90; 90;

COD ID: 1546839

Formula: - C20.5 H14 N5.5 O9.5 S2 Zn2 -
Comments: Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation Chemical Communications 53(74) (2017) 10314-10317
Space group: P 43 21 2
Cell volume: 5309.81
Cell parameters: 19.3615; 19.3615; 14.1645; 90; 90; 90;

COD ID: 1546840

Formula: - C20.5 H14 N5.5 O9.5 S2 Zn2 -
Comments: Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation Chemical Communications 53(74) (2017) 10314-10317
Space group: P 43 21 2
Cell volume: 5321.94
Cell parameters: 19.3938; 19.3938; 14.1496; 90; 90; 90;

COD ID: 1546841

Formula: - C20.5 H14 N5.5 O9.5 S2 Zn2 -
Comments: Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation Chemical Communications 53(74) (2017) 10314-10317
Space group: P 43 21 2
Cell volume: 5297.2
Cell parameters: 19.3596; 19.3596; 14.1336; 90; 90; 90;

COD ID: 1546925
CIF file	Formula: - C16 H17 F3 N2 O3 S - Comments: Huang, Xiaoqiang; Luo, Shipeng; Burghaus, Olaf; Webster, Richard D.; Harms, Klaus; Meggers, Eric Combining the catalytic enantioselective reaction of visible-light-generated radicals with a by-product utilization system Chem. Sci. (2017) Space group: P 43 21 2 Cell volume: 3367.33 Cell parameters: 7.13; 7.13; 66.238; 90; 90; 90;

COD ID: 1549110

Formula: - C18 H30 F4 Ni P2 -
Comments: Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands vs. other halides. Chemical science 9(15) (2018) 3767-3781
Space group: P 43 21 2
Cell volume: 2091.61
Cell parameters: 8.13398; 8.13398; 31.6136; 90; 90; 90;

COD ID: 1550764

Formula: - C25.5 H25 B Br3 Cl F2 N2 -
Comments: Guerrero-Corella, Andrea; Asenjo-Pascual, Juan; Pawar, Tushar Janardan; Díaz-Tendero, Sergio; Martín-Sómer, Ana; Gómez, Clarisa Villegas; Belmonte-Vázquez, José L.; Ramírez-Ornelas, Diana E.; Peña-Cabrera, Eduardo; Fraile, Alberto; Cruz, David Cruz; Alemán, José BODIPY as electron withdrawing group for the activation of double bonds in asymmetric cycloaddition reactions Chemical Science (2019)
Space group: P 43 21 2
Cell volume: 5427
Cell parameters: 12.0614; 12.0614; 37.3048; 90; 90; 90;

COD ID: 1550972
CIF file	Formula: - C47.24 H72.13 B2 Fe N5 - Comments: Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K. Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides Chemical Science (2019) Space group: P 43 21 2 Cell volume: 4246 Cell parameters: 16.0995; 16.0995; 16.3816; 90; 90; 90;

COD ID: 1550982
CIF file	Formula: - C44 H73 B2 Cl2 Fe N7 - Comments: Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K. Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides Chemical Science (2019) Space group: P 43 21 2 Cell volume: 4512.4 Cell parameters: 16.4289; 16.4289; 16.7181; 90; 90; 90;

COD ID: 1552144
CIF file	Formula: - C42 H64 Br3 N2 O6 V - Comments: Jackson, Cassidy E.; Lin, Chun-Yi; Johnson, Spencer H.; van Tol, Johan; Zadrozny, Joseph M. Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes Chemical Science (2019) Space group: P 43 21 2 Cell volume: 4512.6 Cell parameters: 14.609; 14.609; 21.144; 90; 90; 90;

COD ID: 1552146
CIF file	Formula: - C42 H62 Br6 N2 O6 V - Comments: Jackson, Cassidy E.; Lin, Chun-Yi; Johnson, Spencer H.; van Tol, Johan; Zadrozny, Joseph M. Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes Chemical Science (2019) Space group: P 43 21 2 Cell volume: 4865.4 Cell parameters: 10.725; 10.725; 42.298; 90; 90; 90;

COD ID: 1552253

Formula: - C61 H60 B F24 Ir N P2 -
Comments: Lindley, Brian; Walden, Andrew G.; Brasacchio, Ann Marie; Casuras, Andrea; Lease, Nicholas; Chen, Chun-Hsing; Goldman, Alan S.; Miller, Alexander James Minden Electrochemical C‒H Bond Activation via Cationic Iridium Hydride Pincer Complexes Chemical Science (2019)
Space group: P 43 21 2
Cell volume: 6305.7
Cell parameters: 13.4887; 13.4887; 34.6571; 90; 90; 90;

COD ID: 1552613

Formula: - C20 H32 O4 -
Comments: Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen Aphidicolin Chemistry of the Deep-Sea-Derived Fungus Botryotinia fuckeliana MCCC 3A00494. Journal of natural products 82(8) (2019) 2307-2331
Space group: P 43 21 2
Cell volume: 3552.8
Cell parameters: 11.72503; 11.72503; 25.843; 90; 90; 90;

COD ID: 1553258

Formula: - C16 H20 O5 -
Comments: Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite. Journal of medicinal chemistry 61(13) (2018) 5664-5678
Space group: P 43 21 2
Cell volume: 2952.2
Cell parameters: 8.0784; 8.0784; 45.237; 90; 90; 90;

COD ID: 1553640
CIF file	Formula: - C19 H18 N2 O3 - 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: P 43 21 2 Cell volume: 3220.62 Cell parameters: 9.37666; 9.37666; 36.6305; 90; 90; 90;

COD ID: 1554099
CIF file	Formula: - C26 H23 Br N2 O4 - Comments: Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers The Journal of Physical Chemistry C 121(45) (2017) 25503 Space group: P 43 21 2 Cell volume: 4664.14 Cell parameters: 11.3202; 11.3202; 36.3968; 90; 90; 90;

COD ID: 1554565
CIF file	Formula: - C32 H27 N O4 S - Comments: Chen, Kun-Quan; Gao, Zhong-Hua; Ye, Song Bifunctional N-heterocyclic carbene catalyzed [3 + 4] annulation of enals with azadienes: enantioselective synthesis of benzofuroazepinones Organic Chemistry Frontiers 6(3) (2019) 405 Space group: P 43 21 2 Cell volume: 5438.1 Cell parameters: 13.6813; 13.6813; 29.053; 90; 90; 90;

COD ID: 1554628
CIF file	Formula: - C8 H8 N10 O14 - Comments: Huang, Qi; Guo, Zhicheng; Liao, Longyu; Hao, Shilong; Nie, Fude; Li, Hongzhen Customization of the molecular structure to modulate the crystal packing style of energetic materials Molecular Systems Design & Engineering 4(5) (2019) 1032 Space group: P 43 21 2 Cell volume: 1714.6 Cell parameters: 7.0912; 7.0912; 34.097; 90; 90; 90;

COD ID: 1555244
CIF file	Formula: - C76 H78 O16 S4 - Comments: Chen, Jing-Xing; Han, Jian-Wei; Wong, Henry N. C. Synthesis and Chiroptical Properties of Double-Helical (M)- and (P)-o-Oligophenylenes. Organic letters 17(17) (2015) 4296-4299 Space group: P 43 21 2 Cell volume: 7873.1 Cell parameters: 13.3557; 13.3557; 44.138; 90; 90; 90;

COD ID: 1555743
CIF file	Formula: - C15 H21 N O3 - Comments: Xu, Shiyan; Zhang, Jing; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong Asymmetric Total Synthesis of (-)-Lycospidine A. Organic letters 18(18) (2016) 4682-4685 Space group: P 43 21 2 Cell volume: 2677.69 Cell parameters: 8.4853; 8.4853; 37.19; 90; 90; 90;

COD ID: 1556183

Formula: - C20 H32 O5 -
Comments: Zhang, Mengke; Zhu, Yan; Zhan, Guanqun; Shu, Penghua; Sa, Rongjian; Lei, Liang; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Wan, Qian; Yao, Guangmin; Zhang, Yonghui Micranthanone A, a new diterpene with an unprecedented carbon skeleton from Rhododendron micranthum. Organic letters 15(12) (2013) 3094-3097
Space group: P 43 21 2
Cell volume: 3763.6
Cell parameters: 9.653; 9.653; 40.391; 90; 90; 90;

COD ID: 1556426
CIF file	Formula: - C38 H58 P2 Si2 Th - Comments: Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R. Thorium(IV) and Uranium(IV) Phosphaazaallenes Inorganics 7 (2019) 105 Space group: P 43 21 2 Cell volume: 3988.2 Cell parameters: 12.1642; 12.1642; 26.953; 90; 90; 90;

COD ID: 1556427
CIF file	Formula: - C38 H58 P2 Si2 U - Comments: Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R. Thorium(IV) and Uranium(IV) Phosphaazaallenes Inorganics 7 (2019) 105 Space group: P 43 21 2 Cell volume: 3927.8 Cell parameters: 12.0767; 12.0767; 26.931; 90; 90; 90;

COD ID: 1556570

Formula: - C20 H30 O4 -
Comments: Zheng, Guijuan; Zhou, Junfei; Huang, Lang; Zhang, Hao; Sun, Na; Zhang, Hanqi; Jin, Pengfei; Yue, Mingbo; Meng, Lingkui; Yao, Guangmin Antinociceptive Grayanane Diterpenoids from the Leaves of Pieris japonica. Journal of natural products 82(12) (2019) 3330-3339
Space group: P 43 21 2
Cell volume: 3651
Cell parameters: 9.247; 9.247; 42.695; 90; 90; 90;

COD ID: 1558814

Formula: - C109 H111 Cd2 F12 N17 O12 S10 -
Comments: Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages Chemical Science (2020)
Space group: P 43 21 2
Cell volume: 12116.1
Cell parameters: 13.5418; 13.5418; 66.0707; 90; 90; 90;

COD ID: 1558859

Formula: - C132 H78 -
Comments: Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns Chemical Science (2020)
Space group: P 43 21 2
Cell volume: 23952.3
Cell parameters: 23.1826; 23.1826; 44.5679; 90; 90; 90;

COD ID: 1559189
CIF file	Formula: - C17 H20 N4 O3 Pd - Comments: Gogula, Thirupathi; Zhang, Jinquan; Reddy, Madhava; Zhang, Shuaizhong; Zou, Hongbin Temperature-modulated selective C(sp3)−H or C(sp2)−H arylation through palladium catalysis Chemical Science (2020) Space group: P 43 21 2 Cell volume: 3565 Cell parameters: 15.89; 15.89; 14.121; 90; 90; 90;

COD ID: 1559900
CIF file	Formula: - C18 H20 N22 - Comments: Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D. Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams Chemistry-A European Journal 26(31) (2020) 7026-7040 Space group: P 43 21 2 Cell volume: 14525 Cell parameters: 21.2871; 21.2871; 32.0541; 90; 90; 90;

COD ID: 1560351

Formula: - Mn O14 Sr3 V4 -
Comments: Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Pellizzeri, Steven; Wen, Yimei; Getman, Rachel B.; Chumanov, George; Kolis, Joseph W. Strontium manganese vanadates from hydrothermal brines: Synthesis and structure of Sr2Mn2(V3O10)(VO4), Sr3Mn(V2O7)2, and Sr2Mn(VO4)2(OH) Journal of Solid State Chemistry 255 (2017) 225-233
Space group: P 43 21 2
Cell volume: 1244.77
Cell parameters: 6.9951; 6.9951; 25.439; 90; 90; 90;

COD ID: 1560461

Formula: - C36 H36 N4 Ni2 O15 S -
Comments: Yao, Shuang; Yi, Fei-Yan; Li, Guanghua; Yu, Yang; Wang, Jing-yuan; Liu, Dan; Song, Shu-Yan Syntheses, structures, and magnetic properties of cobalt(II) and nickel(II) coordination polymers based on a V-shaped ligand Journal of Solid State Chemistry 250 (2017) 6-13
Space group: P 43 21 2
Cell volume: 3752.6
Cell parameters: 11.2036; 11.2036; 29.896; 90; 90; 90;

COD ID: 1561083
CIF file	Formula: - C22 H17 N5 O6 Zn - Comments: Arıcı, Mürsel Construction, Structural Diversity and Properties of Five Coordination Polymers Based on 5-Nitroisophthalate and Bis(imidazole) Linkers Journal of Solid State Chemistry 262 (2018) 79-86 Space group: P 43 21 2 Cell volume: 4385.36 Cell parameters: 15.4132; 15.4132; 18.4595; 90; 90; 90;

COD ID: 1561833
CIF file	Formula: - C39 H53 N11 O16 Y2 - Comments: Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes Chemical Science (2021) Space group: P 43 21 2 Cell volume: 9001.1 Cell parameters: 17.6029; 17.6029; 29.0488; 90; 90; 90;

COD ID: 1561834
CIF file	Formula: - C39 H50 Lu2 N11 O14.5 - Comments: Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes Chemical Science (2021) Space group: P 43 21 2 Cell volume: 8949.2 Cell parameters: 17.5856; 17.5856; 28.9382; 90; 90; 90;

COD ID: 1561835
CIF file	Formula: - C39 H50 Lu N11 O14.5 Yb - Comments: Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes Chemical Science (2021) Space group: P 43 21 2 Cell volume: 8958.3 Cell parameters: 17.5896; 17.5896; 28.9543; 90; 90; 90;

COD ID: 1561837
CIF file	Formula: - C39 H50 Lu N11 O14.5 Y - Comments: Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes Chemical Science (2021) Space group: P 43 21 2 Cell volume: 8963.3 Cell parameters: 17.5884; 17.5884; 28.9743; 90; 90; 90;

COD ID: 1561840
CIF file	Formula: - C39 H52 Gd N11 O15.5 Y - Comments: Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes Chemical Science (2021) Space group: P 43 21 2 Cell volume: 9078.5 Cell parameters: 17.6312; 17.6312; 29.2044; 90; 90; 90;

COD ID: 1562482
CIF file	Formula: - C14 H14 Cu N2 O6 - Comments: Zavakhina, Marina S.; Samsonenko, Denis G.; Virovets, Alexander V.; Dybtsev, Danil N.; Fedin, Vladimir P. Homochiral Cu(II) and Ni(II) malates with tunable structural features Journal of Solid State Chemistry 210(1) (2014) 125-129 Space group: P 43 21 2 Cell volume: 3239.35 Cell parameters: 8.6027; 8.6027; 43.7712; 90; 90; 90;

COD ID: 1563838

Formula: - C70 H62 Cd2 N8 O11 -
Comments: Sun, Shaowen; Sun, Yingying; Guo, Huadong; Fu, Xirao; Guo, Mingming; Liu, Siyu; Guo, Xianmin; Zhang, Liang; Alexandrov, Eugeny V. Construction of Cd(II) coordination polymers from a fluorene-based bisimidazole ligand and polycarboxylic acids: syntheses, structures and properties Inorganica Chimica Acta 483 (2018) 165-172
Space group: P 43 21 2
Cell volume: 6909.1
Cell parameters: 16.6643; 16.6643; 24.88; 90; 90; 90;

COD ID: 1564530

Formula: - C40 H59 N O5 -
Comments: Yun, Ying; Zhang, Chenlu; Guo, Shimeng; Liang, Xiaoying; Lan, Yuan; Wang, Min; Zhuo, Ning; Yin, Jianpeng; Liu, Huanan; Gu, Min; Li, Jing; Xie, Xin; Nan, Fajun Identification of Betulinic Acid Derivatives as Potent TGR5 Agonists with Antidiabetic Effects via Humanized TGR5H88Y Mutant Mice. Journal of medicinal chemistry 64(16) (2021) 12181-12199
Space group: P 43 21 2
Cell volume: 8391.2
Cell parameters: 23.7717; 23.7717; 14.8492; 90; 90; 90;

COD ID: 1565995

Formula: - C82 H201.75 K4 O98.88 P2 -
Comments: Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes Chemical Science 13(8) (2022) 2218-2225
Space group: P 43 21 2
Cell volume: 26540
Cell parameters: 23.3244; 23.3244; 48.784; 90; 90; 90;

COD ID: 1567219

Formula: - C36 H80 Cl2 Cu3 N6 O12 -
Comments: Larionov, S. V.; Myachina, L. I.; Romanenko, G. V.; Tkachev, A. V.; Sheludyakova, L. A.; Ikorskii, V. N.; Boguslavskii, E. G. Synthesis, Crystal and Molecular Structures, and Properties of Optically Active Copper(II) Complexes with 3-N,N-Dimethylaminocaran-4-one-oxime Russian Journal of Coordination Chemistry 27(6) (2001) 423-432
Space group: P 43 21 2
Cell volume: 10284
Cell parameters: 22.423; 22.423; 20.454; 90; 90; 90;

COD ID: 1567666

Formula: - C56 H64 N8 O8 -
Comments: Bansal, Deepak; Kundu, Arup; Singh, Vijay Pal; Pal, Arun K.; Datta, Ayan; Dasgupta, Jyotishman; Mukhopadhyay, Pritam A highly contorted push-pull naphthalenediimide dimer and evidence of intramolecular singlet exciton fission. Chemical science 13(39) (2022) 11506-11512
Space group: P 43 21 2
Cell volume: 5192.4
Cell parameters: 14.7104; 14.7104; 23.995; 90; 90; 90;

COD ID: 1568268

Formula: - C29 H30 O5 -
Comments: Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution via Diels-Alder reaction. Chemical science 14(7) (2023) 1844-1851
Space group: P 43 21 2
Cell volume: 4842.77
Cell parameters: 9.9702; 9.9702; 48.7176; 90; 90; 90;

COD ID: 1568326

Formula: - C8 H41 B40 Cu4 I3 S4 -
Comments: Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence. Chemical science 14(6) (2023) 1613-1626
Space group: P 43 21 2
Cell volume: 6437
Cell parameters: 12.716; 12.716; 39.812; 90; 90; 90;

COD ID: 1569189

Formula: - C9 H21 Br3 N4 -
Comments: Qaroush, Abdussalam K.; Eftaiha, Ala'a F.; Al-Qaisi, Feda'a M.; Assaf, Khaleel I.; Hammad, Suhad B.; Al-Anati, Malak H.; Radwan, Enas S.; Awwadi, Firas F. Newly synthesized imidazolium precursors for CO2 utilization and sequestration: aprotic versus protic salts Catalysis Science & Technology 13(11) (2023) 3245-3257
Space group: P 43 21 2
Cell volume: 1561.89
Cell parameters: 9.9901; 9.9901; 15.6499; 90; 90; 90;

COD ID: 1569895
CIF file	Formula: - C14 H16 Co N2 O10 - Comments: Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties. IUCrJ 10(6) (2023) Space group: P 43 21 2 Cell volume: 3196.9 Cell parameters: 10.2539; 10.2539; 30.4058; 90; 90; 90;

COD ID: 1570281
CIF file	Formula: - C27 H34 O3 - Comments: Mare, Liviu; Muresan-Pop, Marieta; Purcea Lopes, Pompilia Mioara; Turza, Alexandru; Borodi, Gheorghe; Popescu, Violeta Crystal Structure and Intermolecular Energy for Some Nandrolone Esters. Molecules (Basel, Switzerland) 28(20) (2023) 7179 Space group: P 43 21 2 Cell volume: 4667.91 Cell parameters: 8.0959; 8.0959; 71.2184; 90; 90; 90;

COD ID: 1570866

Formula: - C27 H60 Cl6 N2 O12 Sb -
Comments: Han, Xiao; Cheng, Puxin; Han, Shanshan; Wang, Zhihua; Guan, Junjie; Han, Wenqing; Shi, Rongchao; Chen, Songhua; Zheng, Yongshen; Xu, Jialiang; Bu, Xian-He Multi-stimuli-responsive luminescence enabled by crown ether anchored chiral antimony halide phosphors. Chemical science 15(10) (2024) 3530-3538
Space group: P 43 21 2
Cell volume: 3993.5
Cell parameters: 10.1199; 10.1199; 38.9943; 90; 90; 90;

COD ID: 1570990

Formula: - C25 H25 B2 Er0.04 N12 O2 Y0.96 -
Comments: Dunstan, Maja A.; Giansiracusa, Marcus J.; Calvello, Simone; Sorace, Lorenzo; Krause-Heuer, Anwen M; Soncini, Alessandro; Mole, Richard A.; Boskovic, Colette Ab initio-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering. Chemical science 15(12) (2024) 4466-4477
Space group: P 43 21 2
Cell volume: 2784.57
Cell parameters: 9.3339; 9.3339; 31.9618; 90; 90; 90;

COD ID: 1571298

Formula: - C32 H28 F3 N O2 -
Comments: Lu, Yi-Nan; Che, Chao; Zhen, Guangjin; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang Visible-light-enabled stereoselective synthesis of functionalized cyclohexylamine derivatives via [4 + 2] cycloadditions. Chemical science 15(17) (2024) 6507-6514
Space group: P 43 21 2
Cell volume: 5501.08
Cell parameters: 16.5216; 16.5216; 20.1532; 90; 90; 90;

COD ID: 1571460
CIF file	Formula: - C44 H68 N2 S4 Zn - Comments: Seo, W. T. Michael; Riffel, Madeline N.; Oliver, Allen Grayson; Tsui, Emily Y. Metal-Cation-Induced Shifts in Thiolate Redox and Reduced Sulfur Speciation Chemical Science (2024) Space group: P 43 21 2 Cell volume: 4443.5 Cell parameters: 15.6496; 15.6496; 18.1435; 90; 90; 90;

COD ID: 2001360
CIF file Original IUCr paper	Formula: - C25 H31 N3 O6 - Comments: Wang, B.; Takusagawa, F.; Mertes, M. P.; Bowman-James, K. Structure of the product from a novel cyclization reaction involving a C(6)-substituted uridine analog Acta Crystallographica Section C 49(9) (1993) 1568-1571 Space group: P 43 21 2 Cell volume: 4728.5 Cell parameters: 12.577; 12.577; 29.893; 90; 90; 90;

COD ID: 2003430
CIF file Original IUCr paper	Formula: - C68 H106 Na2 O16 - Comments: Shui, X.; Eggleston, D. S. Two Lasalocid Sodium Salts Acta Crystallographica Section C 51(5) (1995) 805-809 Space group: P 43 21 2 Cell volume: 6905 Cell parameters: 12.286; 12.286; 45.744; 90; 90; 90;

COD ID: 2004457
CIF file Original IUCr paper	Formula: - C10 H28 Cl2 N2 O14 Pt - Comments: Whalen, J. T.; Chang, S.-C.; Norman, R. E. Dichloro(ethylenediaminetetraacetic acid-<i>N</i>,<i>N</i>')platinum(II)‒Water (1/6) Acta Crystallographica Section C 52(2) (1996) 297-300 Space group: P 43 21 2 Cell volume: 2190.6 Cell parameters: 10.22; 10.22; 20.973; 90; 90; 90;

COD ID: 2006273

Formula: - C15 H13 N3 S -
Comments: Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F. Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline Acta Crystallographica Section C 53(7) (1997) 973-979
Space group: P 43 21 2
Cell volume: 2763.3
Cell parameters: 9.8543; 9.854; 28.457; 90; 90; 90;

COD ID: 2007428

Formula: - C20 H18 N3 O -
Comments: George, Mathew; Das, Suresh; Ashokan, C. V.; Rath, Nigam P.; George, M. V. 2-Phenyl-3-(5,6,7,7a-tetrahydro-1H,3H-pyrrolo[1,2-c]oxazol-3-ylidene)-1-propene-1,1-dicarbonitrile and 4-(4-Methoxyphenyl)-2,6-bis(methylthio)pyridine-3-carbonitrile Acta Crystallographica Section C 54(7) (1998) 1033-1036
Space group: P 43 21 2
Cell volume: 3449.89
Cell parameters: 9.8769; 9.8769; 35.3642; 90; 90; 90;

COD ID: 2008043

Formula: - C12 H33 Cl4 Co N4 O3 -
Comments: Jeong, Jong Hwa; Kim, Dong Yeub; Lee, Dong Jin; Lee, Bae Wook; Doh, Myung Ki Oxonium Λ-{N,N'-bis[2(S)-pyrrolidinylmethyl]ethane-1,2-diamine}-cis-α-dichlorocobalt(III) dichloride dihydrate Acta Crystallographica Section C 55(1) (1999) 56-58
Space group: P 43 21 2
Cell volume: 2153.4
Cell parameters: 12.852; 12.852; 13.037; 90; 90; 90;

COD ID: 2008090

Formula: - C11 H8 N2 S -
Comments: Davidović, Naka; Matković-Čalogović, Dubravka; Popović, Zora; Fišer-Jakić, Lelja 2-(2-Pyrrolyl)-1,3-benzothiazole Acta Crystallographica Section C 55(1) (1999) 119-120
Space group: P 43 21 2
Cell volume: 1969.3
Cell parameters: 8.0916; 8.0916; 30.078; 90; 90; 90;

COD ID: 2008732

Formula: - C18 H19 N O4 S -
Comments: Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Barbosa, D. M.; Soares, M. I. L.; Pinho e Melo, T. M. V. D.; Rocha Gonsalves, A. M. d'A. (R)-Spiro[(2R)-N-acetyl-2-phenyl-1,3-thiazolidine-4,3'-(3a'R,6a'S)-5',6a'-dimethyl-3a',-6a'-dihydro-3H-furo[2,3-b]furan-2-one] Acta Crystallographica Section C 55(7) (1999) 1094-1096
Space group: P 43 21 2
Cell volume: 3387
Cell parameters: 8.321; 8.321; 48.92; 90; 90; 90;

COD ID: 2008967

Formula: - C34 H32 O6 -
Comments: Choong Eui Song; Yang Hee Kim; Kwan Mook Kim; Dae Yoon Chi; Jong Hwa Jeong Cocrystallization of two conformers of (2S,3S,9S,10S)-2,3,9,10-tetraphenyl-1,4,8,11-tetraoxacyclotetradecane-6,13-dione Acta Crystallographica Section C 55(9) (1999) 1574-1575
Space group: P 43 21 2
Cell volume: 8838.5
Cell parameters: 14.945; 14.945; 39.572; 90; 90; 90;

COD ID: 2010977

Formula: - C20 H24 O2 -
Comments: Do Valle, N. T.; De Simone, C. A.; Pereira, M. A.; Goulart, M. O. F. [1a(1aα,5β,9aα)]-1,1a,4,5,7,8,9,9a-Octahydro-3-hydroxy-1,1,2,5-tetramethyl-7-methylene-6H-cyclopropa[3,4]cyclohept[1,2-e]inden-6-one Acta Crystallographica Section C 56(5) (2000) 566-567
Space group: P 43 21 2
Cell volume: 3365.2
Cell parameters: 13.378; 13.378; 18.803; 90; 90; 90;

COD ID: 2011644

Formula: - C20 H40 N4 S8 Te -
Comments: Virovets, Alexander V.; Kalinina, Irina V.; Fedin, Vladimir P.; Fenske, Dieter Tetragonal polymorphic modification of tetrakis(N,N-diethyldithiocarbamato-S,S')tellurium(IV) Acta Crystallographica Section C 56(12) (2000) e589-e590
Space group: P 43 21 2
Cell volume: 3163.2
Cell parameters: 10.397; 10.397; 29.262; 90; 90; 90;

COD ID: 2012342

Formula: - C15 H12 Br4 O2 -
Comments: Eriksson, Johan; Eriksson, Lars 2,2',6,6'-Tetrachloro-4,4'-propane-2,2-diyldiphenol, 2,2',6-tribromo-4,4'-propane-2,2-diyldiphenol and 2,2',6,6'-tetrabromo-4,4'-propane-2,2-diyldiphenol Acta Crystallographica Section C 57(11) (2001) 1308-1312
Space group: P 43 21 2
Cell volume: 1674.1
Cell parameters: 12.0038; 12.0038; 11.618; 90; 90; 90;

COD ID: 2012571

Formula: - C12 H8 N2 Ni O4 -
Comments: Lu, Tong-Bu; Luck, Rudy L. Interpenetrating nets in cis-bis(pyridine-4-carboxylate)nickel(II) Acta Crystallographica Section C 58(3) (2002) m152-m154
Space group: P 43 21 2
Cell volume: 1181.1
Cell parameters: 11.678; 11.678; 8.6608; 90; 90; 90;

COD ID: 2013302

Formula: - C9 H8 N2 -
Comments: Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle Five (1H-pyrrol-2-yl)pyridines Acta Crystallographica Section C 59(5) (2003) o263-o267
Space group: P 43 21 2
Cell volume: 1550.7
Cell parameters: 8.123; 8.123; 23.502; 90; 90; 90;

COD ID: 2013748

Formula: - C20 H10 F12 N2 O4 Zn -
Comments: Juan Granifo; María Teresa Garland; Ricardo Baggio catena-Poly[[bis(hexafluoroacetylacetonato-κ^2^O,O')zinc(II)]-μ-4,4'-bipyridine-κ^2^N:N'] Acta Crystallographica Section C 60(2) (2004) m97-m100
Space group: P 43 21 2
Cell volume: 2381.5
Cell parameters: 8.0612; 8.0612; 36.648; 90; 90; 90;

COD ID: 2014587

Formula: - C14 H16 N2 O4 S2 -
Comments: Blewett, Gavin; Esterhuysen, Catharine; Bredenkamp, Martin W.; Koch, Klaus R. The first bipodal thiocarbamic acid ester, O,O'-diethyl N,N'-(p-phenylenedicarbonyl)bis(thiocarbamate) Acta Crystallographica Section C 60(12) (2004) o862-o864
Space group: P 43 21 2
Cell volume: 1575.58
Cell parameters: 10.5794; 10.5794; 14.0773; 90; 90; 90;

COD ID: 2014591

Formula: - C42.75 H39 B Cr F4 O3.75 P2 Rh -
Comments: Braun, Wolfgang; Calmuschi, Beatrice; Drexler, Hans-Joachim; Englert, Ulli; Heller, Detlef; Salzer, Albrecht (R,R)-Tricarbonyl{η^6^-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}chromium(0), (R,R)-tricarbonyl-1κ^3^C-{μ-1(η^6^):2κ^2^P,P'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-norbornadiene]chromium(0)rhodium(I) tetrafluoroborate methanol 0.75-solvate and (R,R)-tricarbonyl-1κ^3^C-{μ-1(η^6^):2κ^2^P,P'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-(Z,Z)-cycloocta-1,5-diene]chromium(0)rhodium(I) tetrafluoroborate methanol 1.5-solvate Acta Crystallographica Section C 60(10) (2004) m532-m536
Space group: P 43 21 2
Cell volume: 15746
Cell parameters: 14.3886; 14.3886; 76.056; 90; 90; 90;

COD ID: 2015234

Formula: - C18 H44 Cd Fe N11 O4 -
Comments: Miroslava Maĺarová; Juraj Černák; Werner Massa One-dimensional structure of catena-poly[tetraethylammonium [tetracyanoiron(III)-μ-cyano-[bis(ethylenediamine)cadmium(II)]-μ-cyano] tetrahydrate] Acta Crystallographica Section C 62(4) (2006) m119-m121
Space group: P 43 21 2
Cell volume: 3039
Cell parameters: 13.0444; 13.0444; 17.8599; 90; 90; 90;

COD ID: 2015472

Formula: - C18 H26.302 N4 O5.151 S -
Comments: Elemes, Yiannis; Muir, Kenneth W. Hydrated forms of N-[(3R)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]-(1S,2R)-bornane-10,2-sultam and its enantiomer Acta Crystallographica Section C 62(8) (2006) o458-o460
Space group: P 43 21 2
Cell volume: 3953.05
Cell parameters: 12.2857; 12.2857; 26.1898; 90; 90; 90;

COD ID: 2015639

Formula: - C12 H24 N6 O6 -
Comments: Beckmann, Udo; Brooker, Sally 1:1 Adduct of (S,S)-4-amino-3,5-bis(1-hydroxyethyl)-1,2,4-triazole with (S,S)-1,2-bis(2-hydroxypropionyl)hydrazine stabilized by eight hydrogen bonds Acta Crystallographica Section C 62(11) (2006) o653-o655
Space group: P 43 21 2
Cell volume: 3357.6
Cell parameters: 9.9296; 9.9296; 34.0538; 90; 90; 90;

COD ID: 2015752

Formula: - C21 H25 N3 O -
Comments: Abonía, Rodrigo; Rengifo, Emerson; Cobo, Justo; Low, John N.; Glidewell, Christopher Hydrogen-bonded chains in 3-tert-butyl-5-[(4-methoxybenzyl)amino]-1-phenyl-1H-pyrazole and tetramolecular hydrogen-bonded aggregates in 5-[(benzotriazol-1-ylmethyl)(4-methoxybenzyl)amino]-3-tert-butyl-1-phenyl-1H-pyrazole Acta Crystallographica Section C 63(1) (2007) o29-o32
Space group: P 43 21 2
Cell volume: 3703.7
Cell parameters: 10.9665; 10.9665; 30.796; 90; 90; 90;

COD ID: 2016209

Formula: - Ge2 O7 Y2 -
Comments: Redhammer, Günther J.; Roth, Georg; Amthauer, Georg Yttrium pyrogermanate, Y~2~Ge~2~O~7~ Acta Crystallographica Section C 63(10) (2007) i93-i95
Space group: P 43 21 2
Cell volume: 572.63
Cell parameters: 6.8022; 6.8022; 12.3759; 90; 90; 90;

COD ID: 2016900
CIF file Original IUCr paper	Formula: - C23 H26 N2 O4 - Comments: Palmisano, G.; Pilati, T. Structures of the natural alkaloids vincadifformine and 8-oxotabersonine Acta Crystallographica Section C 49(9) (1993) 1688-1691 Space group: P 43 21 2 Cell volume: 4020.5 Cell parameters: 10.677; 10.677; 35.268; 90; 90; 90;

COD ID: 2017151

Formula: - C21 H25 N3 -
Comments: Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher Seven 5-benzylamino-3-tert-butyl-1-phenyl-1H-pyrazoles: unexpected isomorphisms, and hydrogen-bonded supramolecular structures in zero, one and two dimensions Acta Crystallographica Section C 65(6) (2009) o303-o310
Space group: P 43 21 2
Cell volume: 3583.7
Cell parameters: 10.7749; 10.7749; 30.868; 90; 90; 90;

COD ID: 2017336

Formula: - C6 H6 F3 N O3 S -
Comments: Goldberg, Israel Coulombic interactions, hydrogen bonding and supramolecular chirality in pyridinium trifluoromethanesulfonate Acta Crystallographica Section C 65(10) (2009) o509-o511
Space group: P 43 21 2
Cell volume: 1773
Cell parameters: 8.5265; 8.5265; 24.388; 90; 90; 90;

COD ID: 2017850

Formula: - C10 H28 Cl2 Co N5 O13 -
Comments: Hammershøi, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Mølgaard, Anne Diastereoisomeric β-ethyl aspartate‒cobalt(III) complexes: Λ(+)~578~- and Δ({-})~578~-bis(ethane-1,2-diamine)[β-ethyl (S)-aspartato]cobalt(III) bis(perchlorate) monohydrate Acta Crystallographica Section C 66(11) (2010) m319-m322
Space group: P 43 21 2
Cell volume: 4226.1
Cell parameters: 9.2898; 9.2898; 48.9696; 90; 90; 90;

COD ID: 2018050

Formula: - C32 H46 Cl2 P2 Pt -
Comments: Bungu, Peter N.; Kirsten, Leo; Otto, Stefanus trans-Dichloridobis(4,8-dimethyl-2-phenyl-2-phosphabicyclo[3.3.1]nonane-κP)platinum(II) Acta Crystallographica Section C 67(5) (2011) m154-m156
Space group: P 43 21 2
Cell volume: 3062.41
Cell parameters: 9.5909; 9.5909; 33.2924; 90; 90; 90;

COD ID: 2018480

Formula: - C6 H18 Cu N4 O12 -
Comments: Bélombé, Michel M.; Nenwa, Justin; Wankap Kouamo, Jean S. T.; Ponou, Siméon; Fischer, Andreas catena-Poly[[[(oxamide dioxime-κ^2^N,N')copper(II)]-μ-L-tartrato-κ^4^O^1^,O^2^:O^3^,O^4^] tetrahydrate]: a chiral nanochannel framework hosting solvent water molecules Acta Crystallographica Section C 68(5) (2012) m131-m134
Space group: P 43 21 2
Cell volume: 1418.07
Cell parameters: 14.6316; 14.6316; 6.6239; 90; 90; 90;

COD ID: 2018740

Formula: - C38 H24 N10 Zn -
Comments: Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo A new polymorph of bis[2,6-bis(1H-benzimidazol-2-yl-κN^3^)pyridinido-κN]zinc(II) Acta Crystallographica Section C 69(1) (2013) 47-51
Space group: P 43 21 2
Cell volume: 3247.93
Cell parameters: 9.7292; 9.7292; 34.3125; 90; 90; 90;

COD ID: 2019326

Formula: - C12 H20 Ag3 N7 O3 -
Comments: Jiang, Feng; Dai, Lin; Shi, Yiqiang; Wang, Zhixiang A three-dimensional chiral crystal structure constructed from a chiral triazolate ligand showing an SrSi~2~ topology: poly[bis(μ~3~-3,5-diethyl-1,2,4-triazolato-κ^3^N^1^:N^2^:N^4^)trisilver nitrate] Acta Crystallographica Section C 69(12) (2013) 1485-1487
Space group: P 43 21 2
Cell volume: 1832.8
Cell parameters: 8.628; 8.628; 24.621; 90; 90; 90;

COD ID: 2021045

Formula: - C12 H15 N5 O3 -
Comments: Wang, Xiaojuan; Xu, Hai-Jiang; Jia, Xue-Dong; Yang, Yan-Tao; Zhang, Xiao-Jian Crystal structure and Hirshfeld surface analysis of the anhydrous form of the nucleoside analogue entecavir Acta Crystallographica Section C 74(3) (2018)
Space group: P 43 21 2
Cell volume: 2520
Cell parameters: 7.559; 7.559; 44.103; 90; 90; 90;

COD ID: 2021215

Formula: - C8 H14 N2 O2 -
Comments: García-Reyes, Fernando; Fantoni, Adolfo C.; Barón, Máximo; Romano, Rosana M.; Punte, Graciela M.; Echeverría, Gustavo A. Role of weak C—H···O and strong N—H···O intermolecular interactions on the high-symmetry molecular packing of trans-cyclohexane-1,4-dicarboxamide Acta Crystallographica Section C 74(10) (2018) 1068-1078
Space group: P 43 21 2
Cell volume: 915.02
Cell parameters: 6.9584; 6.9584; 18.8979; 90; 90; 90;

COD ID: 2021427

Formula: - C30 H36 N2 O3 S2 -
Comments: Cole, Wyatt; Hemmingson, Stephanie L.; Eisenberg, Audrey C.; Ulman, Catherine A.; Tanski, Joseph M.; Getzler, Yutan D. Y. L. Synthesis and crystal structures of some bis(3-methyl-1H-indol-2-yl)(salicyl)methanes Acta Crystallographica Section C 75(1) (2019) 65-69
Space group: P 43 21 2
Cell volume: 5653.2
Cell parameters: 9.0917; 9.0917; 68.392; 90; 90; 90;

COD ID: 2021656

Formula: - C54 H48 Cd Cl2 N12 O9.5 -
Comments: Wang, Jia; You, Tianchao; Wang, Teng; Liu, Qikui; Ma, Jianping; Jin, Guoxia Adsorption behaviour of a CdII‒triazole MOF for butan-2-one in a single-crystal-to-single-crystal (SCSC) fashion: the role of hydrogen bonding and C—H...π interactions Acta Crystallographica Section C Structural Chemistry 75(6) (2019) 806
Space group: P 43 21 2
Cell volume: 5459.5
Cell parameters: 15.9167; 15.9167; 21.5498; 90; 90; 90;

COD ID: 2021930

Formula: - C24 H19 N3 O -
Comments: Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil Acta Crystallographica Section C 76(1) (2020) 44-63
Space group: P 43 21 2
Cell volume: 3819.07
Cell parameters: 8.358; 8.358; 54.6705; 90; 90; 90;

COD ID: 2022616

Formula: - C42 H60 Cl2 O7 -
Comments: Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe Solid forms and β-cyclodextrin complexation of turinabol Acta Crystallographica Section C 78(5) (2022) 305-313
Space group: P 43 21 2
Cell volume: 7873.19
Cell parameters: 10.70311; 10.70311; 68.7275; 90; 90; 90;

COD ID: 2022959

Formula: - B47.6 Li1.89 Mg1.11 -
Comments: Pavlyuk, Nazar; Milashius, Viktoria; Kordan, Vasyl; Pavlyuk, Volodymyr Synthesis, crystal structure and hydrogenation properties of MgxLi3 - xB48 - y (x = 1.11, y = 0.40). Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 10-13
Space group: P 43 21 2
Cell volume: 1502.75
Cell parameters: 10.1905; 10.1905; 14.4709; 90; 90; 90;

COD ID: 2022980

Formula: - C11 H25 Au I P Se -
Comments: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 34-49
Space group: P 43 21 2
Cell volume: 3294.88
Cell parameters: 10.7755; 10.7755; 28.3769; 90; 90; 90;

COD ID: 2100852
CIF file Original IUCr paper	Formula: - C78 H98 N30 O49 P7 - Comments: Cervi, A. R.; Langlois d'Estaintot, B.; Hunter, W. N. Crystal and molecular structure of d(GTCTAGAC) Acta Crystallographica Section B 48(5) (1992) 714-719 Space group: P 43 21 2 Cell volume: 44577 Cell parameters: 42.56; 42.56; 24.61; 90; 90; 90;

COD ID: 2101152
CIF file Original IUCr paper	Formula: - C11 H14 N2 - Comments: Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B 50(3) (1994) 363-373 Space group: P 43 21 2 Cell volume: 993.3 Cell parameters: 7.737; 7.737; 16.594; 90; 90; 90;

COD ID: 2101310
CIF file Original IUCr paper	Formula: - C14 H26 Cu N2 O9 - Comments: Marsh, R. E.; Bernal, I. More space-group changes Acta Crystallographica Section B 51(3) (1995) 300-307 Space group: P 43 21 2 Cell volume: 1799.7 Cell parameters: 7.217; 7.217; 34.553; 90; 90; 90;

COD ID: 2101855
CIF file Original IUCr paper	Formula: - H2 Mg3 O10 S2 - Comments: Fleet, Michael E.; Knipe, Stephen W. Structure of Magnesium Hydroxide Sulfate [2MgSO~4~.Mg(OH)~2~], and Solid Solution in Magnesium Hydroxide Sulfate Hydrate and Caminite Acta Crystallographica, Section B 53(3) (1997) 358-363 Space group: P 43 21 2 Cell volume: 716 Cell parameters: 7.454; 7.454; 12.885; 90; 90; 90;

COD ID: 2102570
CIF file Original IUCr paper	Formula: - C12 H28 N2 O11 - Comments: Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L. Supramolecular structures of substituted α,α'-trehalose derivatives Acta Crystallographica Section B 60(4) (2004) 461-471 Space group: P 43 21 2 Cell volume: 1642.25 Cell parameters: 8.6093; 8.6093; 22.1566; 90; 90; 90;

COD ID: 2103362
CIF file Original IUCr paper	Formula: - C5 H11 B N2 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 43 21 2 Cell volume: 683.148 Cell parameters: 6.518; 6.518; 16.08; 90; 90; 90;

COD ID: 2104854

Formula: - C15 H18 N2 O2 -
Comments: Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives Acta Crystallographica Section B 66(6) (2010) 662-677
Space group: P 43 21 2
Cell volume: 2626.85
Cell parameters: 7.8284; 7.8284; 42.8636; 90; 90; 90;

COD ID: 2108121

Formula: - C5 H16 N2 O3.5 S2 -
Comments: Brozdowska, Agnieszka; Chojnacki, Jarosław Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates Acta Crystallographica Section B 73(3) (2017) 507-518
Space group: P 43 21 2
Cell volume: 2262.6
Cell parameters: 11.7872; 11.7872; 16.2851; 90; 90; 90;

COD ID: 2108201

Formula: - C14 H16 N2 O2 S -
Comments: Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of cis- and trans-diketopiperazines of N-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B 73(6) (2017) 1179-1193
Space group: P 43 21 2
Cell volume: 2610.06
Cell parameters: 7.743; 7.743; 43.5343; 90; 90; 90;

COD ID: 2108673

Formula: - C6 H12 N4 O6 P2 -
Comments: Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A. Crystal structures and phase transitions of imidazolium hypodiphosphates Acta Crystallographica Section B 76(5) (2020)
Space group: P 43 21 2
Cell volume: 1243
Cell parameters: 8.966; 8.966; 15.462; 90; 90; 90;

COD ID: 2200105

Formula: - C4 H8 I2 Pt S2 -
Comments: Johansson, Maria H.; Engelbrecht, Hendrik P. cis-(1,4-Dithiane-S,S')diiodoplatinum(II) Acta Crystallographica Section E 57(3) (2001) m114-m116
Space group: P 43 21 2
Cell volume: 990.2
Cell parameters: 8.985; 8.985; 12.265; 90; 90; 90;

COD ID: 2200971

Formula: - C14 H10 Fe2 Hg O4 -
Comments: McIndoe, J. Scott; Nicholson, Brian K. Bis[dicarbonyl(cyclopentadienyl)ferrio]mercury(II) Acta Crystallographica Section E 58(2) (2002) m53-m54
Space group: P 43 21 2
Cell volume: 1431.77
Cell parameters: 11.6756; 11.6756; 10.503; 90; 90; 90;

COD ID: 2200992

Formula: - C50 H64 N2 O2 -
Comments: Jia, Xian; Li, Xingshu; Zhou, Zhongyuan A new chiral Schiff base: (R)-N,N'-bis(3,5-di-tert-butylsalicylidene)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diamine Acta Crystallographica Section E 58(2) (2002) o183-o184
Space group: P 43 21 2
Cell volume: 4468.1
Cell parameters: 10.6183; 10.6183; 39.629; 90; 90; 90;

COD ID: 2202417

Formula: - C20 H16 N2 -
Comments: Jones, Matthew D.; Almeida Paz, Filipe A.; Davies, John E.; Johnson, Brian F. G. (R)-(+)-2,2'-Diamino-1,1'-binaphthyl Acta Crystallographica Section E 59(7) (2003) o910-o912
Space group: P 43 21 2
Cell volume: 1489.73
Cell parameters: 7.0388; 7.0388; 30.0684; 90; 90; 90;

COD ID: 2202440

Formula: - C15 H26 Cl2 N2 Zn -
Comments: Alcántara-Flores, José Luis; Bernès, Sylvain; Reyes-Ortega, Yasmi; Zamorano-Ulloa, Rafael Dichloro[(6R,7S,8S,14R)-({-})-α-isosparteine-κ^2^N,N']zinc(II) Acta Crystallographica Section E 59(11) (2003) m988-m990
Space group: P 43 21 2
Cell volume: 1652.6
Cell parameters: 8.0474; 8.0474; 25.518; 90; 90; 90;

COD ID: 2203222

Formula: - C8 Cl3 I N2 -
Comments: Britton, Doyle 2,5,6-Trichloro-4-iodoisophthalonitrile Acta Crystallographica Section E 60(2) (2004) o184-o186
Space group: P 43 21 2
Cell volume: 2112.2
Cell parameters: 6.3657; 6.3657; 52.125; 90; 90; 90;

COD ID: 2204741
CIF file Original IUCr paper	Formula: - C15 H11 N3 O3 - Comments: McKay, Scott E.; Wheeler, Kraig A.; Blackstock, Silas C. 2,2':6',2''-Terpyridine N,N',N''-trioxide Acta Crystallographica, Section E 60(12) (2004) 2258-2260 Space group: P 43 21 2 Cell volume: 1246.6 Cell parameters: 9.868; 9.868; 12.801; 90; 90; 90;

COD ID: 2206886

Formula: - C24.5 H24.5 N1.5 O3.5 -
Comments: Yuan, Ji-Xin; Song, Xin-Yuan; Ng, Seik Weng (S)-(‒)-1,1'-Bi-2-naphthol dimethylformamide sesquisolvate Acta Crystallographica Section E 61(10) (2005) o3459-o3460
Space group: P 43 21 2
Cell volume: 4260.7
Cell parameters: 8.843; 8.843; 54.486; 90; 90; 90;

COD ID: 2206887

Formula: - C3 H6 N2 O2 -
Comments: Nichol, Gary S.; Clegg, William Malonamide: a tetragonal polymorph Acta Crystallographica Section E 61(10) (2005) o3424-o3426
Space group: P 43 21 2
Cell volume: 438.71
Cell parameters: 5.314; 5.314; 15.536; 90; 90; 90;

COD ID: 2207351

Formula: - C14 H30 Cl N O10 -
Comments: Chang, Hong-Jie; Feng, Xiao-Long; Zhu, Jia-Rong; Ng, Seik Weng (+)-(Z)-(1S,2S,3S,4R,1'S,2'S,3'S,4'R,5'R)-2,3,4-Trihydroxy-5-(hydroxymethyl)-N-[2',3',4'-trihydroxy-5'-(hydroxymethyl)cyclohex-1'-yl]cyclohex-5-en-1-aminium chloride dihydrate Acta Crystallographica Section E 61(11) (2005) o3839-o3841
Space group: P 43 21 2
Cell volume: 1831
Cell parameters: 7.9421; 7.9421; 29.028; 90; 90; 90;

COD ID: 2207533

Formula: - C24 H31 Cl N2 O4 -
Comments: Samas, Brian; Blackburn, Anthony C.; Kreuchauf, Kenneth C. Quininium (S)-2-chloro-n-butyrate Acta Crystallographica Section E 61(12) (2005) o3983-o3984
Space group: P 43 21 2
Cell volume: 4600.2
Cell parameters: 10.5135; 10.5135; 41.618; 90; 90; 90;

COD ID: 2207571

Formula: - C14 H11 N3 O -
Comments: Shi-Ying Wang; Jun Wan; Bo Yang; Xue-Mei Li; Shu-Sheng Zhang 2-(2H-Benzotriazol-2-yl)-1-phenylethanone Acta Crystallographica Section E 61(12) (2005) o4056-o4057
Space group: P 43 21 2
Cell volume: 2380.1
Cell parameters: 8.1925; 8.1925; 35.462; 90; 90; 90;

COD ID: 2208610

Formula: - C23 H27 N O3 -
Comments: Xin, Chun-Wei; Li, Jiang-Sheng; Guo, Zhi-Xiong; Chen, Li-Gong N-(3,5-Di-tert-butyl-4-hydroxybenzyl)phthalimide Acta Crystallographica Section E 62(4) (2006) o1273-o1275
Space group: P 43 21 2
Cell volume: 4070.6
Cell parameters: 17.1925; 17.1925; 13.7715; 90; 90; 90;

COD ID: 2209173

Formula: - C18 H25 Cl O2 -
Comments: Florian Sieder; Eichinger, Karl; Mereiter, Kurt (1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl chloroacetate Acta Crystallographica Section E 62(6) (2006) o2291-o2292
Space group: P 43 21 2
Cell volume: 3324.9
Cell parameters: 8.8672; 8.8672; 42.287; 90; 90; 90;

COD ID: 2212829

Formula: - C14 H16 Mn N2 O10 -
Comments: Tang, Yun-Zhi; Tan, Yu-Hui; Cao, Yan-Wen catena-Poly[[tetraaquamanganese(II)]-μ-6,6'-dihydroxy-3,3-diazenediyldibenzoato-κ^2^O:O'] Acta Crystallographica Section E 63(4) (2007) m1175-m1176
Space group: P 43 21 2
Cell volume: 3228.3
Cell parameters: 10.2694; 10.2694; 30.611; 90; 90; 90;

COD ID: 2213561

Formula: - C35 H40 O8 -
Comments: Hoong-Kun Fun; Nawong Boonnak; Suchada Chantrapromma 8,8'-Methylenebis(7,10-dihydroxy-1,3,6,6-tetramethyl-3,4-dihydro-1H-benzo[g]isochromen-9-one) Acta Crystallographica Section E 63(5) (2007) o2317-o2318
Space group: P 43 21 2
Cell volume: 3054.9
Cell parameters: 8.4385; 8.4385; 42.901; 90; 90; 90;

COD ID: 2215675

Formula: - C12 H8 Co N2 O4 -
Comments: Hao, Hong-Qin; Peng, Meng-Xia; Chen, Zi-Yun Poly[bis(μ~2~-4-pyridinecarboxylato-κ^3^N:O,O')cobalt(II)]: a triply interpenetrated structure with diamonoid topology Acta Crystallographica Section E 63(10) (2007) m2605-m2605
Space group: P 43 21 2
Cell volume: 1185.81
Cell parameters: 11.6304; 11.6304; 8.7665; 90; 90; 90;

COD ID: 2216440

Formula: - C36 H84 Al4 O12 -
Comments: Mohammadnezhad, Gholamhossein Sh.; Amini, Mostafa M.; Khavasi, Hamid Reza; Ng, Seik Weng Hexa-μ~2~-isopropoxido-κ^12^O:O-hexaisopropoxidotetraaluminium(III) Acta Crystallographica Section E 63(12) (2007) m3049-m3049
Space group: P 43 21 2
Cell volume: 4811.1
Cell parameters: 12.331; 12.331; 31.641; 90; 90; 90;

COD ID: 2217410

Formula: - C16 H20 N2 O2 -
Comments: Alam, Samina; Hasan, Mashooda; Saeed, Sadaf; Fischer, Andreas; Khan, Naeema cis-(9S,10S)-Methyl 1-propyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylate Acta Crystallographica Section E 64(2) (2008) o361-o361
Space group: P 43 21 2
Cell volume: 3152.1
Cell parameters: 9.341; 9.341; 36.125; 90; 90; 90;

COD ID: 2217439

Formula: - C15 H11 F N2 O3 -
Comments: Margutti, Simona; Schollmeyer, Dieter; Laufer, Stefan 4-(4-Fluorophenyl)-2-methyl-3-(1-oxy-4-pyridyl)isoxazol-5(2H)-one Acta Crystallographica Section E 64(2) (2008) o504-o504
Space group: P 43 21 2
Cell volume: 2567.7
Cell parameters: 10.0828; 10.0828; 25.257; 90; 90; 90;

COD ID: 2218720

Formula: - C11 H10 N2 O2 -
Comments: Knapp, Warren R.; LaDuca, Robert L. Di-4-pyridylmethanediol Acta Crystallographica Section E 64(7) (2008) o1347
Space group: P 43 21 2
Cell volume: 1019.27
Cell parameters: 7.613; 7.613; 17.5864; 90; 90; 90;

COD ID: 2219299

Formula: - C12 H10 Cl N O2 S -
Comments: Gowda, B. Thimme; Foro, Sabine; Babitha, K. S.; Fuess, Hartmut N-(3-Chlorophenyl)benzenesulfonamide Acta Crystallographica Section E 64(9) (2008) o1825
Space group: P 43 21 2
Cell volume: 2504.6
Cell parameters: 8.8357; 8.8357; 32.081; 90; 90; 90;

COD ID: 2219895

Formula: - C26 H22 Cl2 N6 Ni O4 -
Comments: Mao, Jia-Wei; Zhou, Hong; Pan, Zhi-Quan; Meng, Xiang-Gao Bis{4-chloro-6-formyl-2-[(E)-2-(1H-imidazol-4-yl-κN^3^)ethyliminomethyl-κN]phenolato-κO^1^}nickel(II) Acta Crystallographica Section E 64(11) (2008) m1367-m1368
Space group: P 43 21 2
Cell volume: 2592.2
Cell parameters: 13.5883; 13.5883; 14.0392; 90; 90; 90;

COD ID: 2220493

Formula: - C10 H12 F2 O2 Sn -
Comments: Wen, Liyuan; Yin, Handong; Li, Wenkuan; Wang, Daqi catena-Poly[[trimethyltin(IV)]-μ-2,5-difluorobenzoato-κ^2^O:O'] Acta Crystallographica Section E 65(1) (2009) m29
Space group: P 43 21 2
Cell volume: 2433
Cell parameters: 9.8857; 9.8857; 24.896; 90; 90; 90;

COD ID: 2222305

Formula: - C19 H30 Cl N O5 -
Comments: Song, Xiu-Mei; Li, Zhao-Yang; Wang, Zhao-Yang; Li, Jian-Xiao N-[(2S)-4-Chloro-2-(L-menthyloxy)-5-oxo-2,5-dihydrofuran-3-yl]-L-valine Acta Crystallographica Section E 65(7) (2009) o1585
Space group: P 43 21 2
Cell volume: 4294.9
Cell parameters: 10.454; 10.454; 39.3; 90; 90; 90;

COD ID: 2222447

Formula: - C23 H23 N4 O1.5 -
Comments: Zheng, Chun-Yang; Sun, Ting-Quan 2-(4-tert-Butylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline sesquihydrate Acta Crystallographica Section E 65(7) (2009) o1471
Space group: P 43 21 2
Cell volume: 4009
Cell parameters: 14.809; 14.809; 18.281; 90; 90; 90;

COD ID: 2222923

Formula: - C19 H30 Br N O5 -
Comments: Song, Xiu-Mei; Li, Zhao-Yang; Wang, Zhao-Yang; Fu, Jian-Hua N-{4-Bromo-2-[(S)-menthyloxy]-5-oxo-2,5-dihydro-3-furyl}-L-valine Acta Crystallographica Section E 65(8) (2009) o1838
Space group: P 43 21 2
Cell volume: 4376.4
Cell parameters: 10.5409; 10.5409; 39.388; 90; 90; 90;

COD ID: 2223068

Formula: - C28 H46 Cl2 N2 O6 Sn4 -
Comments: Lee, See Mun; Lo, Kong Mun; Ng, Seik Weng Dichlorido{μ~3~-6,6'-diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}octamethyldi-μ~3~-oxido-tetratin(IV) Acta Crystallographica Section E 65(9) (2009) m1103-m1104
Space group: P 43 21 2
Cell volume: 3705.68
Cell parameters: 9.8723; 9.8723; 38.0217; 90; 90; 90;

COD ID: 2225146

Formula: - C20 H15 N O2 -
Comments: Zheng, Yu; Wu, Jin-Long 2-(4-Hydroxybiphenyl-3-yl)isoindolin-1-one Acta Crystallographica Section E 66(2) (2010) o448
Space group: P 43 21 2
Cell volume: 2954.6
Cell parameters: 7.5123; 7.5123; 52.3543; 90; 90; 90;

COD ID: 2226509

Formula: - C69 H72 Ag2 Au3 Cl6 F18 N9 O13 S6 -
Comments: Pažický, Marek; Rominger, Frank; Limbach, Michael μ~3~-Oxido-tris{dichlorido[1,3-bis(1,3,5-trimethylphenyl)imidazol-2-ylidene]gold(III)} bis(trifluoromethanesulfonyl)imide‒[bis(trifluoromethanesulfonyl)imide]silver(I) (1/2) Acta Crystallographica Section E 66(7) (2010) m724-m725
Space group: P 43 21 2
Cell volume: 8894.4
Cell parameters: 13.9472; 13.9472; 45.724; 90; 90; 90;

COD ID: 2229326

Formula: - C30 H46 O3 -
Comments: Arfan, Mohammad; Rauf, Abdur; Tahir, M. Nawaz; Ali, Mumtaz; Uddin, Ghias 2-Methyl-6-(4,4,10,13,14-pentamethyl-3-oxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hept-2-enoic acid Acta Crystallographica Section E 67(3) (2011) o711
Space group: P 43 21 2
Cell volume: 5525.7
Cell parameters: 13.3167; 13.3167; 31.1595; 90; 90; 90;

COD ID: 2231775

Formula: - C46 H72 Cl O2 P2 Rh -
Comments: Makhoba, Sizwe; Muller, Alfred; Meijboom, Reinout; Omondi, Bernard trans-Carbonylchloridobis[dicyclohexyl(4-isopropylphenyl)phosphane]rhodium(I) acetone monosolvate Acta Crystallographica Section E 67(9) (2011) m1286-m1287
Space group: P 43 21 2
Cell volume: 9117.4
Cell parameters: 16.013; 16.013; 35.557; 90; 90; 90;

COD ID: 2232396

Formula: - C54 H44 Br4 Cd2 N4 O8 -
Comments: Liu, Dong; Zi, Yan-Qin; Ng, Seik Weng Bis(μ-4-bromobenzoato)-κ^3^O,O':O';O:O,O'-bis[μ-1,3-bis(pyridin-4-yl)propane-κ^2^N:N']bis[(4-bromobenzoato-κ^2^O,O')cadmium] Acta Crystallographica Section E 67(11) (2011) m1621
Space group: P 43 21 2
Cell volume: 5285.6
Cell parameters: 13.7829; 13.7829; 27.8235; 90; 90; 90;

COD ID: 2234076

Formula: - C10 H15 N O5 -
Comments: Knizhnikov, Volodymyr; Gorichko, Marian; Voitenko, Zoya 3-Carbamoyl-2,2-dimethylcyclopentane-1,1-dicarboxylic acid Acta Crystallographica Section E 68(3) (2012) o725
Space group: P 43 21 2
Cell volume: 2205.28
Cell parameters: 9.4424; 9.4424; 24.7343; 90; 90; 90;

COD ID: 2234197

Formula: - C19 H22 N2 S -
Comments: Umar, M. Naveed; Tahir, M. Nawaz; Shoaib, Mohammad; Ali, Akbar; Khan, Imran 1,3-Bis(1-phenylethyl)imidazolidine-2-thione Acta Crystallographica Section E 68(4) (2012) o1188
Space group: P 43 21 2
Cell volume: 1744.3
Cell parameters: 5.8692; 5.8692; 50.637; 90; 90; 90;

COD ID: 2236096

Formula: - C19 H24 O6 -
Comments: Mudyiwa, Mercy; Rajab, Mohamed S.; Fronczek, Frank R.; Watkins, Steven F. (1R,4R,5aS,7S,9aS)-7,9a-Dimethyl-6-methylene-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-1,4-diyl diacetate Acta Crystallographica Section E 68(9) (2012) o2612-o2613
Space group: P 43 21 2
Cell volume: 3584.9
Cell parameters: 13.014; 13.014; 21.167; 90; 90; 90;

COD ID: 2236569

Formula: - C44 H30 N4 O2 -
Comments: Chen, Shikun 2,2'-{[(2,2'-Diethoxy-1,1'-binaphthalene-6,6'-diyl)bis(4,1-phenylene)]bis(methanylylidene)}dimalononitrile Acta Crystallographica Section E 68(10) (2012) o2852
Space group: P 43 21 2
Cell volume: 3359.7
Cell parameters: 8.4556; 8.4556; 46.991; 90; 90; 90;

COD ID: 2236863

Formula: - C11 H28 Br6 Mn2 N2 O2 -
Comments: Rinta, Heikki; Peuronen, Anssi; Lahtinen, Manu Poly[[μ-N,N'-bis(2-hydroxyethyl)-N,N,N',N'-tetramethylpropane-1,3-diaminium-κ^2^O:O']tetra-μ-bromido-dibromidodimanganese(II)] Acta Crystallographica Section E 68(12) (2012) m1453-m1454
Space group: P 43 21 2
Cell volume: 2269.1
Cell parameters: 8.0163; 8.0163; 35.3103; 90; 90; 90;

COD ID: 2238106

Formula: - C33 H27 F6 Fe N2 P S -
Comments: Ma, Peng-Fei; Zhang, Xiao-Rui; Ma, Jiang-Wei; Chen, Hui; Jiang, Ru (R~C~,S~Fe~)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-{1-[2-(diphenylphosphanyl)ferrocenyl]ethyl}thiourea (unknown solvate) Acta Crystallographica Section E 69(5) (2013) m242-m243
Space group: P 43 21 2
Cell volume: 7269.6
Cell parameters: 20.0898; 20.0898; 18.012; 90; 90; 90;

COD ID: 2238769

Formula: - C26 H25 N O7 -
Comments: Santhiya, S.; Naga Siva Rao, J.; Raghunathan, R.; Latha, N.; Lakshmi, S. (1S,1'S,2'R,4a'S,9a'S,9b'R)-1'-Acetyloxy-2,4'-dioxo-2',4',4a',7',8',9',9a',9b'-octahydro-1'H,2H-spiro[acenaphthylene-1,5'-pyrano[4,3-a]pyrrolizin]-2'-ylmethyl acetate Acta Crystallographica Section E 69(11) (2013) o1601
Space group: P 43 21 2
Cell volume: 4671
Cell parameters: 13.6792; 13.6792; 24.9625; 90; 90; 90;

COD ID: 2242361

Formula: - C16 H18 O4 P2 S4 -
Comments: Przychodzeń, Witold; Chojnacki, Jarosław Crystal structures of eight- and ten-membered cyclic bisanisylphosphonothioyl disulfanes and comparison with their P-ferrocenyl analogues Acta Crystallographica Section E 74(2) (2018) 212-216
Space group: P 43 21 2
Cell volume: 2072.19
Cell parameters: 7.2415; 7.2415; 39.516; 90; 90; 90;

COD ID: 2242700
CIF file Original IUCr paper	Formula: - C12 H32 Mo N2 O4 - Comments: Sarr, Bougar; Mbaye, Abdou; Diop, Cheikh Abdoul Khadir; Melin, Frederic; Hellwig, Petra; Sidibé, Mamadou; Rousselin, Yoann Crystal structure of bis(diisopropylammonium) molybdate Acta Crystallographica Section E 74(11) (2018) 1682-1685 Space group: P 43 21 2 Cell volume: 1879.29 Cell parameters: 9.0166; 9.0166; 23.1158; 90; 90; 90;

COD ID: 2243569

Formula: - C86 H60 Cl6 Fe O8 P4 -
Comments: Rennie, Benjamin E.; Lough, Alan J.; Morris, Robert H. Crystal structure of bis[(R,R)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate Acta Crystallographica Section E 76(9) (2020) 1525-1527
Space group: P 43 21 2
Cell volume: 7534
Cell parameters: 11.985; 11.985; 52.4508; 90; 90; 90;

COD ID: 2300629

Formula: - C2 H10 N2 O4 Se -
Comments: Martin, Alexander T.; Nichols, Shane M.; Li, Sichao; Tan, Melissa; Kahr, Bart Double cone of eigendirections in optically active ethylenediammonium selenate crystals Journal of Applied Crystallography 50(4) (2017) 1117-1124
Space group: P 43 21 2
Cell volume: 684.03
Cell parameters: 6.1352; 6.1352; 18.1726; 90; 90; 90;

COD ID: 2310609
CIF file	Formula: - Cu2 S - Comments: Janosi, A. La structure du cuivreux quadratique Acta Crystallographica (1,1948-23,1967) 17 (1964) 311-312 Space group: P 43 21 2 Cell volume: 180.249 Cell parameters: 3.9962; 3.9962; 11.287; 90; 90; 90;

COD ID: 4000043
CIF file	Formula: - C18 H18 S2 - Comments: Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G. Steric Control of Conductivity in Highly Conjugated Polythiophenes Chemistry of Materials 13(5) (2001) 1665-1673 Space group: P 43 21 2 Cell volume: 1475.1 Cell parameters: 10.6898; 10.6898; 12.909; 90; 90; 90;

COD ID: 4000061
CIF file	Formula: - C12 H8 N2 O4 Zn - Comments: Chemistry of Materials (2001) Space group: P 43 21 2 Cell volume: 1208.11 Cell parameters: 7.7094; 7.7094; 20.3266; 90; 90; 90;

COD ID: 4000627
CIF file	Formula: - C38 H0 F6 I6 N5 O4 Pr S2 - Comments: Chemistry of Materials (2005) Space group: P 43 21 2 Cell volume: 6034.6 Cell parameters: 14.5452; 14.5452; 28.524; 90; 90; 90;

COD ID: 4000628
CIF file	Formula: - C38 H80 F6 I6 N5 O4 Pr S2 - Comments: Chemistry of Materials (2005) Space group: P 43 21 2 Cell volume: 6108.4 Cell parameters: 14.648; 14.648; 28.469; 90; 90; 90;

COD ID: 4001668

Formula: - C42 H24 Fe3 O16 -
Comments: Dan-Hardi, Meenakshi; Chevreau, Hubert; Devic, Thomas; Horcajada, Patricia; Maurin, Guillaume; Férey, Gérard; Popov, Dmitry; Riekel, Christian; Wuttke, Stefan; Lavalley, Jean-Claude; Vimont, Alexandre; Boudewijns, Tom; de Vos, Dirk; Serre, Christian How Interpenetration Ensures Rigidity and Permanent Porosity in a Highly Flexible Hybrid Solid Chemistry of Materials 24(13) (2012) 2486
Space group: P 43 21 2
Cell volume: 16827
Cell parameters: 21.8; 21.8; 35.407; 90; 90; 90;

COD ID: 4003097

Formula: - C16 H20 Fe2 O8 P2 -
Comments: Schipper, Desmond E.; Zhao, Zhenhuan; Thirumalai, Hari; Leitner, Andrew P.; Donaldson, Samantha L.; Kumar, Arvind; Qin, Fan; Wang, Zhiming; Grabow, Lars C.; Bao, Jiming; Whitmire, Kenton H. Effects of Catalyst Phase on the Hydrogen Evolution Reaction of Water Splitting: Preparation of Phase-Pure Films of FeP, Fe2P, and Fe3P and Their Relative Catalytic Activities Chemistry of Materials 30(10) (2018) 3588
Space group: P 43 21 2
Cell volume: 2221.02
Cell parameters: 10.2458; 10.2458; 21.1573; 90; 90; 90;

COD ID: 4003643

Formula: - C H6 Au I3 N -
Comments: Ghosh, Biplab; Febriansyah, Benny; Harikesh, Padinhare Cholakkal; Koh, Teck Ming; Hadke, Shreyash; Wong, Lydia H.; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan Direct Band Gap Mixed-Valence Organic‒inorganic Gold Perovskite as Visible Light Absorbers Chemistry of Materials (2020)
Space group: P 43 21 2
Cell volume: 1720.57
Cell parameters: 8.3537; 8.3537; 24.6556; 90; 90; 90;

COD ID: 4020023
CIF file	Formula: - C40 H26 O2 - Comments: Matzger, Adam J.; Price, Christopher P. Journal of Organic Chemistry 70 (2005) 1-6 Space group: P 43 21 2 Cell volume: 2829.9 Cell parameters: 8.2629; 8.2629; 41.448; 90; 90; 90;

COD ID: 4020038
CIF file	Formula: - C44 H64 Fe2 I2 N2 O4 Pd2 Si2 - Comments: Carolyn E. Anderson; Yariv Donde; Christopher J. Douglas; Larry E. Overman Journal of Organic Chemistry 70 (2005) 648-657 Space group: P 43 21 2 Cell volume: 4817.3 Cell parameters: 12.3661; 12.3661; 31.502; 90; 90; 90;

COD ID: 4020441
CIF file	Formula: - C64 H94 Ca O16 - Comments: Eun Joo Kang; Eun Jin Cho; Mi Kyung Ji; Young Eun Lee; Dong Mok Shin; Soo Young Choi; Young Keun Chung; Jong-Seo Kim; Hie-Joon Kim; Sueg-Geun Lee; Myoung Soo Lah; Eun Lee Journal of Organic Chemistry 70 (2005) 6321-6329 Space group: P 43 21 2 Cell volume: 6482.9 Cell parameters: 12.6369; 12.6369; 40.5962; 90; 90; 90;

COD ID: 4020909
CIF file	Formula: - C11 H20 N4 O2 - Comments: T. Govindaraju; Vaijayanti A. Kumar; Krishna N. Ganesh Synthesis and Evaluation of (1S,2R/1R,2S)-Aminocyclohexylglycyl PNAs as Conformationally Preorganized PNA Analogues for DNA/RNA Recognition Journal of Organic Chemistry 69 (2004) 1858-1865 Space group: P 43 21 2 Cell volume: 2821 Cell parameters: 12.159; 12.159; 19.086; 90; 90; 90;

COD ID: 4021405
CIF file	Formula: - C18 H26 N O2 P S - Comments: Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism Journal of Organic Chemistry 71 (2006) 606-615 Space group: P 43 21 2 Cell volume: 8137.9 Cell parameters: 14.149; 14.149; 40.65; 90; 90; 90;

COD ID: 4022796

Formula: - C14 H12 Cr O4 -
Comments: Stephen C. Pelly; Sameshnee Govender; Manuel A. Fernandes; Hans-Günther Schmalz; Charles B. de Koning Stereoselective Syntheses of the 2-Isopropenyl-2,3-dihydrobenzofuran Nucleus: Potential Chiral Building Blocks for the Syntheses of Tremetone, Hydroxytremetone, and Rotenone Journal of Organic Chemistry 72 (2007) 2857-2864
Space group: P 43 21 2
Cell volume: 2576.13
Cell parameters: 8.3398; 8.3398; 37.0388; 90; 90; 90;

COD ID: 4023369

Formula: - C29.27 H42.41 N2.14 O5 S -
Comments: Armel A. Agbodjan; Bob E. Cooley; Royston C. B. Copley; John A. Corfield; Roy C. Flanagan; Bobby N. Glover; Rossella Guidetti; David Haigh; Peter D. Howes; Mary M. Jackson; Richard T. Matsuoka; Katrina J. Medhurst; Alan Millar; Matthew J. Sharp; Martin J. Slater; Jennifer F. Toczko; Shiping Xie Asymmetric Synthesis of an N-Acylpyrrolidine for Inhibition of HCV Polymerase Journal of Organic Chemistry 73 (2008) 3094-3102
Space group: P 43 21 2
Cell volume: 6323.4
Cell parameters: 14.5527; 14.5527; 29.858; 90; 90; 90;

COD ID: 4023840

Formula: - C30 H34 -
Comments: Atsuya Muranaka; Masahiko Shibahara; Motonori Watanabe; Taisuke Matsumoto; Teruo Shinmyozu; Nagao Kobayashi Optical Resolution, Absolute Configuration, and Chiroptical Properties of Three-Layered [3.3]Paracyclophane Journal of Organic Chemistry 73 (2008) 9125-9128
Space group: P 43 21 2
Cell volume: 4469.47
Cell parameters: 10.6091; 10.6091; 39.7099; 90; 90; 90;

COD ID: 4024594

Formula: - C39 H31 B F4 N2 -
Comments: Kang-sang Lee; Amir H. Hoveyda Monodentate Non-C2-symmetric Chiral N-Heterocyclic Carbene Complexes for Enantioselective Synthesis. Cu-Catalyzed Conjugate Additions of Aryl- and Alkenylsilylfluorides to Cyclic Enones Journal of Organic Chemistry 74 (2009) 4455-4462
Space group: P 43 21 2
Cell volume: 6198.3
Cell parameters: 12.8839; 12.8839; 37.34; 90; 90; 90;

COD ID: 4024597
CIF file	Formula: - C29 H25 Br N2 O3 S - Comments: Liang Cheng; Li Liu; Han Jia; Dong Wang; Yong-Jun Chen Enantioselective Organocatalytic anti-Mannich-Type Reaction of N-Unprotected 3-Substituted 2-Oxindoles with Aromatic N-Ts-aldimines Journal of Organic Chemistry 74 (2009) 4650-4653 Space group: P 43 21 2 Cell volume: 5811.9 Cell parameters: 13.444; 13.444; 32.156; 90; 90; 90;

COD ID: 4024935
CIF file	Formula: - C8 H12 N2 O2 - Comments: Bret R. Van Ausdall; Jeremy L. Glass; Kelly M. Wiggins; Atta M. Aarif; Janis Louie A Systematic Investigation of Factors Influencing the Decarboxylation of Imidazolium Carboxylates Journal of Organic Chemistry 74 (2009) 7935-7942 Space group: P 43 21 2 Cell volume: 832.41 Cell parameters: 6.1093; 6.1093; 22.3025; 90; 90; 90;

COD ID: 4025154
CIF file	Formula: - C16 H17 Br N2 O6 S2 - Comments: Sadagopan Raghavan; V. Krishnaiah; B. Sridhar Asymmetric Synthesis of the Potent HIV-Protease Inhibitor, Nelfinavir Journal of Organic Chemistry 75 (2010) 498-501 Space group: P 43 21 2 Cell volume: 3924.1 Cell parameters: 10.736; 10.736; 34.045; 90; 90; 90;

COD ID: 4025870
CIF file	Formula: - C22 H34 O4 - Comments: Maliha Uroos; William Lewis; Alexander J. Blake; Christopher J. Hayes Total Synthesis of (+)-Cymbodiacetal: A Re-evaluation of the Biomimetic Route Journal of Organic Chemistry 75 (2010) 8465-8470 Space group: P 43 21 2 Cell volume: 1981.8 Cell parameters: 14.4022; 14.4022; 9.5546; 90; 90; 90;

COD ID: 4026232
CIF file	Formula: - C19 H27 N3 O0 - Comments: Fei Wang; Shangjun Cai; Qian Liao; Chanjuan Xi A Protocol to 2-Aminobenzimidazoles via Copper-Catalyzed Cascade Addition and Cyclization of o-Haloanilines and Carbodiimides Journal of Organic Chemistry 76 (2011) 3174-3180 Space group: P 43 21 2 Cell volume: 3397.6 Cell parameters: 13.1671; 13.1671; 19.597; 90; 90; 90;

COD ID: 4026767
CIF file	Formula: - C14 H21 N O - Comments: Douglass F. Taber; Sha Bai; Weiwei Tian Synthesis of the Reported Structure of trans-Africanan-1α-ol Journal of Organic Chemistry 76 (2011) 9733-9737 Space group: P 43 21 2 Cell volume: 2595.6 Cell parameters: 9.0911; 9.0911; 31.405; 90; 90; 90;

COD ID: 4027449
CIF file	Formula: - C31 H28 N3 O2 - Comments: Hai-Liang Zhu; Jun-Bing Ling; Peng-Fei Xu α-Oxo-γ-Butyrolactam, N-Containing Pronucleophile in Organocatalytic One-Pot Assembly of Butyrolactam-Fused Indoloquinolizidines Journal of Organic Chemistry 77 (2012) 7737-7743 Space group: P 43 21 2 Cell volume: 6152 Cell parameters: 10.321; 10.321; 57.75; 90; 90; 90;

COD ID: 4027940

Formula: - C34 H26 F6 N2 O4 -
Comments: Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization Journal of Organic Chemistry 78 (2013) 1329-1342
Space group: P 43 21 2
Cell volume: 2811.89
Cell parameters: 8.308; 8.308; 40.7386; 90; 90; 90;

COD ID: 4028241
CIF file	Formula: - C28 H25 O3 P - Comments: Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far Journal of Organic Chemistry 78 (2013) 4665-4673 Space group: P 43 21 2 Cell volume: 4584.21 Cell parameters: 11.7715; 11.7715; 33.0827; 90; 90; 90;

COD ID: 4028394

Formula: - C44 H44 Cl2 Fe4 O4 Rh2 S4 -
Comments: Noureddine Khiar; Álvaro Salvador; Victoria Valdivia; Ahmed Chelouan; Ana Alcudia; Eleuterio Álvarez; Inmaculada Fernández Flexible C2-Symmetric Bis-Sulfoxides as Ligands in Enantioselective 1,4-Addition of Boronic Acids to Electron-Deficient Alkenes Journal of Organic Chemistry 78 (2013) 6510-6521
Space group: P 43 21 2
Cell volume: 4313
Cell parameters: 11.118; 11.118; 34.896; 90; 90; 90;

COD ID: 4028748

Formula: - C10 H18 Cl N2 O4 P -
Comments: Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines Journal of Organic Chemistry 78 (2013) 11283-11293
Space group: P 43 21 2
Cell volume: 1426.2
Cell parameters: 8.2039; 8.2039; 21.191; 90; 90; 90;

COD ID: 4028821
CIF file	Formula: - C23 H24 N2 O3 - Comments: Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones Journal of Organic Chemistry 78 (2013) 12243-12250 Space group: P 43 21 2 Cell volume: 7712.44 Cell parameters: 11.52756; 11.52756; 58.0386; 90; 90; 90;

COD ID: 4028914

Formula: - C8 H12 N2 O2 -
Comments: Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues The Journal of Organic Chemistry 73(7) (2008) 2852-2861
Space group: P 43 21 2
Cell volume: 822.64
Cell parameters: 6.609; 6.609; 18.8339; 90; 90; 90;

COD ID: 4028915

Formula: - C5 H8 N2 O2 -
Comments: Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues The Journal of Organic Chemistry 73(7) (2008) 2852-2861
Space group: P 43 21 2
Cell volume: 1179.46
Cell parameters: 6.981; 6.981; 24.2018; 90; 90; 90;

COD ID: 4029768

Formula: - C9 H12 F6 N0 O2 -
Comments: Petrov, Viacheslav A.; Marshall, Will Acid catalyzed cyclodimerization of 2,2-bis(trifluoromethyl)-4-alkoxy-oxetanes and -thietanes. Synthesis of 2,2,6,6-tetrakis(trifluoromethyl)-4,8-dialkoxy-1,5-dioxocanes and 3,3,7,7-tetrakis(trifluoromethyl)-9-oxa-2,6-dithia-bicyclo[3.3.1]nonane. Beilstein journal of organic chemistry 6 (2010) 46
Space group: P 43 21 2
Cell volume: 2343.7
Cell parameters: 10.1499; 10.1499; 22.75; 90; 90; 90;

COD ID: 4029888
CIF file	Formula: - C34 H30 Br N3 Ni O3 - Comments: Chen, Hui; Wang, Jiang; Zhou, Shengbin; Liu, Hong Asymmetric Synthesis of Chiral Heterocyclic Amino Acids via the Alkylation of the Ni(II) Complex of Glycine and Alkyl Halides. The Journal of organic chemistry 79(17) (2014) 7872-7879 Space group: P 43 21 2 Cell volume: 6478.9 Cell parameters: 14.0105; 14.0105; 33.006; 90; 90; 90;

COD ID: 4031356

Formula: - C26 H27 N O5 -
Comments: Zheng, Jianfeng; Lin, Lili; Fu, Kai; Zheng, Haifeng; Liu, Xiaohua; Feng, Xiaoming Synthesis of Optically Pure Spiro[cyclohexane-oxindoline] Derivatives via Catalytic Asymmetric Diels-Alder Reaction of Brassard-Type Diene with Methyleneindolines. The Journal of organic chemistry 80(17) (2015) 8836-8842
Space group: P 43 21 2
Cell volume: 4865
Cell parameters: 9.766; 9.766; 51.01; 90; 90; 90;

COD ID: 4031378

Formula: - H6 Se Si2 -
Comments: Barrow, M.J.; Ebsworth, E.A.V. Crystal and molecular structures of disilyl sulphide (at 120 K) and of disilyl selenide (at 125 K) and comparison with crystalline disilyl oxide Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1982 (1982) 211-216
Space group: P 43 21 2
Cell volume: 1076.3
Cell parameters: 8.36; 8.36; 15.4; 90; 90; 90;

COD ID: 4031971

Formula: - C17 H15 Br N2 O2 -
Comments: Weng, Jian-Quan; Fan, Ren-Jie; Deng, Qiao-Man; Liu, Ren-Rong; Gao, Jian-Rong; Jia, Yi-Xia Enantioselective Friedel-Crafts Alkylation Reactions of 3-Substituted Indoles with Electron-Deficient Alkenes. The Journal of organic chemistry 81(7) (2016) 3023-3030
Space group: P 43 21 2
Cell volume: 3206.43
Cell parameters: 9.6284; 9.6284; 34.587; 90; 90; 90;

COD ID: 4032445

Formula: - C38 H53 N O4 -
Comments: Ortiz, Adrian; Soumeillant, Maxime; Savage, Scott A.; Strotman, Neil A.; Haley, Matthew; Benkovics, Tamas; Nye, Jeffrey; Xu, Zhongmin; Tan, Yichen; Ayers, Sloan; Gao, Qi; Kiau, Susanne Synthesis of HIV-Maturation Inhibitor BMS-955176 from Betulin by an Enabling Oxidation Strategy. The Journal of organic chemistry 82(9) (2017) 4958-4963
Space group: P 43 21 2
Cell volume: 6534
Cell parameters: 10.9331; 10.9331; 54.663; 90; 90; 90;

COD ID: 4032531

Formula: - C24 H19 Cl O4 -
Comments: Deng, Yu-Hua; Chu, Wen-Dao; Zhang, Xiang-Zhi; Yan, Xu; Yu, Ke-Yin; Yang, Liang-Liang; Huang, Hanmin; Fan, Chun-An Cinchona Alkaloid Catalyzed Enantioselective [4 + 2] Annulation of Allenic Esters and in Situ Generated ortho-Quinone Methides: Asymmetric Synthesis of Functionalized Chromans. The Journal of organic chemistry 82(10) (2017) 5433-5440
Space group: P 43 21 2
Cell volume: 4075.1
Cell parameters: 8.2642; 8.2642; 59.668; 90; 90; 90;

COD ID: 4032615
CIF file	Formula: - C19 H18 F2 O2 - Comments: Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao Difluorination of Furonaphthoquinones. The Journal of organic chemistry 82(14) (2017) 7388-7393 Space group: P 43 21 2 Cell volume: 3149.44 Cell parameters: 8.2959; 8.2959; 45.7622; 90; 90; 90;

COD ID: 4032616
CIF file	Formula: - C19 H18 F2 O2 - Comments: Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao Difluorination of Furonaphthoquinones. The Journal of organic chemistry 82(14) (2017) 7388-7393 Space group: P 43 21 2 Cell volume: 3132.69 Cell parameters: 8.2655; 8.2655; 45.8542; 90; 90; 90;

COD ID: 4033342

Formula: - C29 H42 O8 -
Comments: Aimaiti, Simayijiang; Suzuki, Airi; Saito, Yohei; Fukuyoshi, Shuichi; Goto, Masuo; Miyake, Katsunori; Newman, David J.; O'Keefe, Barry R; Lee, Kuo-Hsiung; Nakagawa-Goto, Kyoko Corymbulosins I-W, Cytotoxic Clerodane Diterpenes from the Bark of Laetia corymbulosa. The Journal of organic chemistry 83(2) (2018) 951-963
Space group: P 43 21 2
Cell volume: 5926
Cell parameters: 10.5837; 10.5837; 52.904; 90; 90; 90;

COD ID: 4033807

Formula: - C10 H18 N2 O2 -
Comments: Tanaka, Kouichi; Miki, Takashi; Murata, Kunihiko; Yamaguchi, Ayumi; Kayaki, Yoshihito; Kuwata, Shigeki; Ikariya, Takao; Watanabe, Masahito Reductive Amination of Ketonic Compounds Catalyzed by Cp*Ir(III) Complexes Bearing a Picolinamidato Ligand. The Journal of organic chemistry 84(17) (2019) 10962-10977
Space group: P 43 21 2
Cell volume: 2197.5
Cell parameters: 9.4429; 9.4429; 24.644; 90; 90; 90;

COD ID: 4035544

Formula: - C26 H29 N3 O3 -
Comments: Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor. The Journal of organic chemistry 83(15) (2018) 8483-8492
Space group: P 43 21 2
Cell volume: 4639.41
Cell parameters: 11.0275; 11.0275; 38.1512; 90; 90; 90;

COD ID: 4036453

Formula: - C20 H22 N4 O5 -
Comments: Hooper, Joel F.; James, Natalie C.; Bozkurt, Esra; Aviyente, Viktorya; White, Jonathan M.; Holland, Mareike C.; Gilmour, Ryan; Holmes, Andrew B.; Houk, K. N. Medium-Ring Effects on the Endo/Exo Selectivity of the Organocatalytic Intramolecular Diels-Alder Reaction. The Journal of organic chemistry 80(24) (2015) 12058-12075
Space group: P 43 21 2
Cell volume: 4034.1
Cell parameters: 10.7298; 10.7298; 35.04; 90; 90; 90;

COD ID: 4036720
CIF file	Formula: - C5 H10 N6 - Comments: List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens N-Methylmelamines: Synthesis, Characterization, and Physical Properties. The Journal of organic chemistry 81(10) (2016) 4066-4075 Space group: P 43 21 2 Cell volume: 750.49 Cell parameters: 7.3976; 7.3976; 13.714; 90; 90; 90;

COD ID: 4037128
CIF file	Formula: - C15 H25 N O5 - Comments: Salih, Nabaz; Adams, Harry; Jackson, Richard F. W. Synthesis of ω-Oxo Amino Acids and trans-5-Substituted Proline Derivatives Using Cross-Metathesis of Unsaturated Amino Acids. The Journal of organic chemistry 81(18) (2016) 8386-8393 Space group: P 43 21 2 Cell volume: 3289.2 Cell parameters: 8.8171; 8.8171; 42.31; 90; 90; 90;

COD ID: 4038738

Formula: - C19 H22 O4 -
Comments: Zhong, Weimao; Chen, Yuchan; Mai, Zhimao; Wei, Xiaoyi; Wang, Junfeng; Zeng, Qi; Chen, Xiayu; Tian, Xinpeng; Zhang, Weimin; Wang, Fazuo; Zhang, Si Euroticins A and B, Two Pairs of Highly Constructed Salicylaldehyde Derivative Enantiomers from a Marine-Derived Fungus Eurotium sp. SCSIO F452 The Journal of Organic Chemistry (2020)
Space group: P 43 21 2
Cell volume: 3440.8
Cell parameters: 10.7042; 10.7042; 30.0297; 90; 90; 90;

COD ID: 4061243

Formula: - C27 H28 B2 F4 N6 O2 P Ru -
Comments: Man, Man Lok; Zhu, Jun; Ng, Siu Man; Zhou, Zhongyuan; Yin, Chuanqi; Lin, Zhenyang; Lau, Chak Po Reactions of Hydrotris(pyrazolyl)borate (Tp)-Supported Ruthenium Dihydrogen Complexes [TpRu(L2)(H2)]+(L2= dppm, dppp, (PPh3)2) with O2 Organometallics 23(26) (2004) 6214-6220
Space group: P 43 21 2
Cell volume: 6001.3
Cell parameters: 13.6698; 13.6698; 32.116; 90; 90; 90;

COD ID: 4061335

Formula: - C19 H24 Cl2 O Ti -
Comments: Zhang, Yuetao; Mu, Ying; Lv, Chunsheng; Li, Guanghua; Xu, Jiansheng; Zhang, Yanrong; Zhu, Dongsheng; Feng, Shouhua Constrained Geometry Tetramethylcyclopentadienyl-phenoxytitanium Dichlorides: Template Synthesis, Structures and Catalytic Properties for Ethylene Polymerization Organometallics (2004)
Space group: P 43 21 2
Cell volume: 4022
Cell parameters: 10.197; 10.197; 38.678; 90; 90; 90;

COD ID: 4061573
CIF file	Formula: - C30 H34 P2 S2 - Comments: Organometallics (2005) Space group: P 43 21 2 Cell volume: 2738.6 Cell parameters: 9.3019; 9.3019; 31.65; 90; 90; 90;

COD ID: 4062558
CIF file	Formula: - C20.5 H21 Cl3 N Ni P - Comments: Speiser Fredy; Braunstein Pierre; Saussine Lucien New nickel ethylene oligomerization catalysts bearing bidentate P,N-phosphinopyridine ligands Organometallics (2004) Space group: P 43 21 2 Cell volume: 4274 Cell parameters: 9.209; 9.209; 50.4; 90; 90; 90;

COD ID: 4063665
CIF file	Formula: - C20 H30 Ca O2 - Comments: Fischer, Reinald; Langer, Jens; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias Coordination Behavior of Calcocene and Its Use as a Synthon for Heteroleptic Organocalcium Compounds Organometallics 30(6) (2011) 1359 Space group: P 43 21 2 Cell volume: 1941.18 Cell parameters: 9.2245; 9.2245; 22.8129; 90; 90; 90;

COD ID: 4064216

Formula: - C25 H40 Cl N4 O3 Re -
Comments: Martin, Thomas A.; Ellul, Charles E.; Mahon, Mary F.; Warren, Mark E.; Allan, David; Whittlesey, Michael K. Neutral and Cationic Mono- and Bis-N-heterocyclic Carbene Complexes Derived From Manganese and Rhenium Carbonyl Precursors Organometallics 30(8) (2011) 2200
Space group: P 43 21 2
Cell volume: 2836.21
Cell parameters: 12.033; 12.033; 19.588; 90; 90; 90;

COD ID: 4065970

Formula: - C31 H30 Cl N2 O P Pd -
Comments: Zhang, Ben-Shang; Wang, Wei; Shao, Dan-Dan; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping Unsymmetrical Chiral PCN Pincer Palladium(II) and Nickel(II) Complexes of (Imidazolinyl)aryl Phosphinite Ligands: Synthesis via Ligand C−H Activation, Crystal Structures, and Catalytic Studies Organometallics 29(11) (2010) 2579
Space group: P 43 21 2
Cell volume: 5709.6
Cell parameters: 12.3785; 12.3785; 37.262; 90; 90; 90;

COD ID: 4066221

Formula: - C15.5 H19 Cl3 N P Pd -
Comments: Chen, Shuli; Ng, Joseph Kok-Peng; Pullarkat, Sumod A.; Liu, Fengli; Li, Yongxin; Leung, Pak-Hing Asymmetric Synthesis of New Diphosphines and Pyridylphosphines via a Kinetic Resolution Process Promoted and Controlled by a Chiral Palladacycle Organometallics 29(15) (2010) 3374
Space group: P 43 21 2
Cell volume: 3580.18
Cell parameters: 8.5216; 8.5216; 49.3018; 90; 90; 90;

COD ID: 4066622

Formula: - C27 H24 Au Cl2 F5 N2 -
Comments: Pažický, Marek; Loos, Annette; Ferreira, Maria João; Serra, Daniel; Vinokurov, Nikolai; Rominger, Frank; Jäkel, Christoph; Hashmi, A. Stephen K.; Limbach, Michael Synthesis, Reactivity, and Electrochemical Studies of Gold(I) and Gold(III) Complexes Supported by N-Heterocyclic Carbenes and Their Application in Catalysis Organometallics 29(20) (2010) 4448-4458
Space group: P 43 21 2
Cell volume: 3825.3
Cell parameters: 12.4281; 12.4281; 24.766; 90; 90; 90;

COD ID: 4067155
CIF file	Formula: - C18 H40 N4 Zn2 - Comments: Schmidt, Sarah; Schulz, Stephan; Bläser, Dieter; Boese, Roland; Bolte, Michael Synthesis and Structural Characterization of New Zinc Amidinate Complexes Organometallics 29(22) (2010) 6097 Space group: P 43 21 2 Cell volume: 2294.6 Cell parameters: 11.3479; 11.3479; 17.819; 90; 90; 90;

COD ID: 4067319
CIF file	Formula: - C38 H42 Cl2 N4 Zr - Comments: El-Zoghbi, Ibrahim; Latreche, Saïda; Schaper, Frank Zirconium Complexes of Symmetric and of Chiral Diketiminate Ligands: Synthesis, Crystal Structures, and Reactivities Organometallics 29(7) (2010) 1551 Space group: P 43 21 2 Cell volume: 3611.9 Cell parameters: 8.7244; 8.7244; 47.453; 90; 90; 90;

COD ID: 4067783

Formula: - C26 H52 Mn2 P4 -
Comments: Stokes, Francesca A.; Less, Robert J.; Haywood, Joanna; Melen, Rebecca L.; Thompson, Richard I.; Wheatley, Andrew E. H.; Wright, Dominic S.; Johansson, Adam Johannes; Kloo, Lars Structure and Bonding of the Manganese(II) Phosphide Complex (t-BuPH2)(η5-Cp)Mn{μ-(t-BuPH)}2Mn(Cp)(t-BuPH2) Organometallics 31(1) (2012) 23
Space group: P 43 21 2
Cell volume: 2981.19
Cell parameters: 9.1287; 9.1287; 35.7743; 90; 90; 90;

COD ID: 4068967
CIF file	Formula: - C16 H38 O4 P4 Ru - Comments: Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Willis, Anthony C. Insertion of CO2into the Ru−C Bonds ofcis-andtrans-Ru(dmpe)2Me2(dmpe = Me2PCH2CH2PMe2) Organometallics 28(8) (2009) 2385 Space group: P 43 21 2 Cell volume: 2377.7 Cell parameters: 9.0425; 9.0425; 29.079; 90; 90; 90;

COD ID: 4069306

Formula: - C22 H38 N2 Zr -
Comments: Epshteyn, Albert; Trunkely, Emily F.; Kissounko, Denis A.; Fettinger, James C.; Sita, Lawrence R. Experimental Modeling of Selective Alkene Oligomerization: Evidence for Facile Metallacyclopentane Dehydrogenation Mediated by a Transannular β-Hydrogen Agostic Interaction Organometallics 28(8) (2009) 2520
Space group: P 43 21 2
Cell volume: 4454.9
Cell parameters: 11.7894; 11.7894; 32.052; 90; 90; 90;

COD ID: 4072716
CIF file	Formula: - C29 H87 Al3 O4 Si12 - Comments: Krempner, C.; Reinke, H.; Weichert, K. Synthesis and Structure of Cyclic Aluminum Disiloxides Organometallics 26(6) (2007) 1386 Space group: P 43 21 2 Cell volume: 6445.4 Cell parameters: 13.4937; 13.4937; 35.3988; 90; 90; 90;

COD ID: 4073404

Formula: - C45 H66 Lu2 N8 Si2 -
Comments: Yang, Yi; Liu, Bo; Lv, Kui; Gao, Wei; Cui, Dongmei; Chen, Xuesi; Jing, Xiabin Pyrrolide-Supported Lanthanide Alkyl Complexes. Influence of Ligands on Molecular Structure and Catalytic Activity toward Isoprene Polymerization Organometallics 26(18) (2007) 4575
Space group: P 43 21 2
Cell volume: 4879.2
Cell parameters: 14.9571; 14.9571; 21.8098; 90; 90; 90;

COD ID: 4074008
CIF file	Formula: - C36 H42 Fe2 N2 O6 Pd2 - Comments: Xia, Ji-Bao; You, Shu-Li Carbon−Carbon Bond Formation through Double sp2C−H Activations: Synthesis of Ferrocenyl Oxazoline Derivatives Organometallics 26(20) (2007) 4869 Space group: P 43 21 2 Cell volume: 3646.2 Cell parameters: 18.0227; 18.0227; 11.2255; 90; 90; 90;

COD ID: 4074829
CIF file	Formula: - C112 H84 Cl2 N8 O8 P4 Rh2 - Comments: Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C. Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes Organometallics 25(6) (2006) 1377-1391 Space group: P 43 21 2 Cell volume: 12427.4 Cell parameters: 16.2011; 16.2011; 47.347; 90; 90; 90;

COD ID: 4075152
CIF file	Formula: - C22 H60 I La N2 Si6 - Comments: Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W. Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands Organometallics 25(12) (2006) 2999 Space group: P 43 21 2 Cell volume: 7421.8 Cell parameters: 17.1751; 17.1751; 25.16; 90; 90; 90;

COD ID: 4075624

Formula: - C54 H70 B20 N2 P2 Ru2 Si2 -
Comments: Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei Reaction Scope and Mechanism of Sterically Induced Ruthenium-Mediated Intramolecular Coupling ofo-Carboranyl with Cyclopentadienyl. Synthesis and Structure of Ruthenium Complexes Incorporating Doubly Linked Cyclopentadienyl−Carboranyl Ligands Organometallics 25(17) (2006) 4188
Space group: P 43 21 2
Cell volume: 6943
Cell parameters: 14.7615; 14.7615; 31.863; 90; 90; 90;

COD ID: 4077329
CIF file	Formula: - C66 H57 N2 O5 P4 Ru2 - Comments: Gao, Yuan; Jennings, Michael C.; Puddephatt, Richard J.; Jenkins, Hilary A. Synthesis and Reactivity of a Diruthenium Diazoalkane Complex Organometallics 20(16) (2001) 3500 Space group: P 43 21 2 Cell volume: 6471.5 Cell parameters: 15.1244; 15.1244; 28.291; 90; 90; 90;

COD ID: 4077867
CIF file	Formula: - C43 H39 As F6 O1.5 P2 - Comments: Kilah, Nathan L.; Wild, S. Bruce Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion Organometallics 31(7) (2012) 2658 Space group: P 43 21 2 Cell volume: 8091.7 Cell parameters: 18.723; 18.723; 23.0827; 90; 90; 90;

COD ID: 4078145

Formula: - C52 H82 B3 F12 N3 O7 Os3 -
Comments: Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando Half-Sandwich Complexes of Osmium(II) withl-α-Amino Carboxylate Ligands as Asymmetric Transfer Hydrogenation Catalysts. On the Origin of the Enantioselectivity Organometallics 31(8) (2012) 3333
Space group: P 43 21 2
Cell volume: 13964
Cell parameters: 15.43; 15.43; 58.65; 90; 90; 90;

COD ID: 4078436

Formula: - C16 H26 Cl2 Li N2 Ti -
Comments: Arp, Henning; Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith; Rasmussen, Kenneth; Zark, Patrick; Müller, Thomas Synthesis of Oligosilanyl Compounds of Group 4 Metallocenes with the Oxidation State +3. Organometallics 31(11) (2012) 4309-4319
Space group: P 43 21 2
Cell volume: 1864.9
Cell parameters: 8.2533; 8.2533; 27.378; 90; 90; 90;

COD ID: 4078869

Formula: - C28 H76 Li2 Mg N4 Si4 -
Comments: Baillie, Sharon E.; Clegg, William; Garc?ía-Álvarez, Pablo; Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Russo, Luca Synthesis, Structural Elucidation, and Diffusion-Ordered NMR Studies of Homoleptic Alkyllithium Magnesiates: Donor-Controlled Structural Variations in Mixed-Metal Chemistry Organometallics 31(14) (2012) 5131
Space group: P 43 21 2
Cell volume: 4461.9
Cell parameters: 11.1275; 11.1275; 36.035; 90; 90; 90;

COD ID: 4079312

Formula: - C41 H53 Cl4 Cr Li2 O4 P2 -
Comments: Kulangara, Shaneesh Vadake; Mason, Chris; Juba, Michael; Yang, Yun; Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Rob Synthesis and Catalytic Oligomerization Activity of Chromium Catalysts of Ligand Systems with Switchable Connectivity Organometallics 31(17) (2012) 6438
Space group: P 43 21 2
Cell volume: 4488.3
Cell parameters: 12.2935; 12.2935; 29.6984; 90; 90; 90;

COD ID: 4079658
CIF file	Formula: - C27 H36 Au Cl N2 O2 - Comments: Banerjee, Dipshikha; Buzas, Andrea K.; Besnard, Céline; Kündig, E. Peter Chiral N-Heterocyclic Carbene Gold Complexes: Synthesis, Properties, and Application in Asymmetric Catalysis Organometallics 31(23) (2012) 8348 Space group: P 43 21 2 Cell volume: 10938.2 Cell parameters: 16.1135; 16.1135; 42.1276; 90; 90; 90;

COD ID: 4080320

Formula: - C24 H33 I2 N3 O2 U -
Comments: Mora, Elsa; Maria, Leonor; Biswas, Biplab; Camp, Clément; Santos, Isabel C.; Pécaut, Jacques; Cruz, Adelaide; Carretas, José M.; Marçalo, Joaquim; Mazzanti, Marinella Diamine Bis(phenolate) as Supporting Ligands in Organoactinide(IV) Chemistry. Synthesis, Structural Characterization, and Reactivity of Stable Dialkyl Derivatives Organometallics 32(5) (2013) 1409
Space group: P 43 21 2
Cell volume: 2799.16
Cell parameters: 8.52423; 8.52423; 38.5227; 90; 90; 90;

COD ID: 4080464

Formula: - C37 H40 N12 Ni2 O5 -
Comments: Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J. Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes Organometallics 32(6) (2013) 1913
Space group: P 43 21 2
Cell volume: 3538.7
Cell parameters: 11.3453; 11.3453; 27.492; 90; 90; 90;

COD ID: 4080766
CIF file	Formula: - C33 H46 B O3 Ru3 - Comments: Yuvaraj, K.; Roy, Dipak Kumar; Geetharani, K.; Mondal, Bijan; Anju, V. P.; Shankhari, Pritam; Ramkumar, V.; Ghosh, Sundargopal Chemistry of Homo- and Heterometallic Bridged-Borylene Complexes Organometallics 32(9) (2013) 2705 Space group: P 43 21 2 Cell volume: 6345.1 Cell parameters: 16.0903; 16.0903; 24.508; 90; 90; 90;

COD ID: 4081321
CIF file	Formula: - C13 H18 Au Br3 N2 - Comments: Huynh, Han Vinh; Guo, Shuai; Wu, Wenqin Detailed Structural, Spectroscopic, and Electrochemical Trends of Halido Mono- and Bis(NHC) Complexes of Au(I) and Au(III) Organometallics 32(16) (2013) 4591 Space group: P 43 21 2 Cell volume: 1710.36 Cell parameters: 9.0114; 9.0114; 21.0622; 90; 90; 90;

COD ID: 4081322
CIF file	Formula: - C13 H18 Au I3 N2 - Comments: Huynh, Han Vinh; Guo, Shuai; Wu, Wenqin Detailed Structural, Spectroscopic, and Electrochemical Trends of Halido Mono- and Bis(NHC) Complexes of Au(I) and Au(III) Organometallics 32(16) (2013) 4591 Space group: P 43 21 2 Cell volume: 1834.8 Cell parameters: 9.3135; 9.3135; 21.152; 90; 90; 90;

COD ID: 4081706
CIF file	Formula: - C48 H74 Mg N4 O - Comments: Schwamm, Ryan J.; Coles, Martyn P. Catalytic C‒C Bond Formation Promoted by Organo- and Amidomagnesium(II) Compounds Organometallics 32(19) (2013) 5277 Space group: P 43 21 2 Cell volume: 4585.83 Cell parameters: 10.2435; 10.2435; 43.704; 90; 90; 90;

COD ID: 4082030
CIF file	Formula: - C44 H52 Cu F6 N4 P - Comments: Guo, Shuai; Lim, Miao Hui; Huynh, Han Vinh Copper(I) Heteroleptic Bis(NHC) and Mixed NHC/Phosphine Complexes: Syntheses and Catalytic Activities in the One-Pot Sequential CuAAC Reaction of Aromatic Amines Organometallics 32(23) (2013) 7225 Space group: P 43 21 2 Cell volume: 4102.7 Cell parameters: 11.7715; 11.7715; 29.608; 90; 90; 90;

COD ID: 4082921
CIF file	Formula: - C44.5 H38.5 Br2 Cl1.5 N4 O Pd2 S2 - Comments: Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh Template-Directed Synthesis of Palladium(II) Sulfonate-NHC Complexes and Catalytic Studies in Aqueous Mizoroki‒Heck Reactions Organometallics 33(7) (2014) 1794 Space group: P 43 21 2 Cell volume: 4836.5 Cell parameters: 18.5291; 18.5291; 14.087; 90; 90; 90;

COD ID: 4083115
CIF file	Formula: - C8 H20 Bi2 Te - Comments: Heimann, Stefan; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan Solid-State Structures of Bis(diethylbismuthanyl)sulfane, -selenane, and -tellurane Organometallics 33(9) (2014) 2295 Space group: P 43 21 2 Cell volume: 1411.8 Cell parameters: 9.9601; 9.9601; 14.2312; 90; 90; 90;

COD ID: 4083117
CIF file	Formula: - C8 H20 Bi2 S - Comments: Heimann, Stefan; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan Solid-State Structures of Bis(diethylbismuthanyl)sulfane, -selenane, and -tellurane Organometallics 33(9) (2014) 2295 Space group: P 43 21 2 Cell volume: 5300.1 Cell parameters: 19.995; 19.995; 13.2569; 90; 90; 90;

COD ID: 4083790

Formula: - C31.5 H34.5 B0.5 F12 Ir0.5 N0.5 P -
Comments: Ben-Ari, Eyal; Cohen, Revital; Gandelman, Mark; Shimon, Linda J. W.; Martin, Jan M. L.; Milstein, David orthoC−H Activation of Haloarenes and Anisole by an Electron-Rich Iridium(I) Complex: Mechanism and Origin of Regio- and Chemoselectivity. An Experimental and Theoretical Study Organometallics 25(13) (2006) 3190
Space group: P 43 21 2
Cell volume: 6502
Cell parameters: 13.587; 13.587; 35.221; 90; 90; 90;

COD ID: 4083969
CIF file	Formula: - C87 H110 O Sn2 - Comments: Henning, Jens; Eichele, Klaus; Fink, Reinhold F.; Wesemann, Lars Structural and Spectroscopic Characterization of Tin‒Tin Double Bonds in Cyclic Distannenes Organometallics 33(14) (2014) 3904 Space group: P 43 21 2 Cell volume: 7656 Cell parameters: 14.88; 14.88; 34.579; 90; 90; 90;

COD ID: 4084186
CIF file	Formula: - C20 H38 B2 S2 - Comments: Seidel, Günter; Fürstner, Alois A Novel Boron Heterocycle Comprised of an Inner Boronium/Borate Adduct Organometallics 33(16) (2014) 4336 Space group: P 43 21 2 Cell volume: 2050.7 Cell parameters: 8.6832; 8.6832; 27.1984; 90; 90; 90;

COD ID: 4084991

Formula: - C24 H29 N Pd Si -
Comments: Koller, Stephan G.; Martín-Romo, Raquel; Melero, José S.; Colquhoun, Victoria P.; Schildbach, Daniel; Strohmann, Carsten; Villafañe, Fernando Structural Consequences of an Extreme Difference between theTransInfluence of the Donor Atoms in a Palladacycle Organometallics 33(24) (2014) 7329
Space group: P 43 21 2
Cell volume: 4664.89
Cell parameters: 11.9477; 11.9477; 32.6793; 90; 90; 90;

COD ID: 4085014

Formula: - C33 H43 N3 O3 Re -
Comments: Vollmer, Matthew V.; Machan, Charles W.; Clark, Melissa L.; Antholine, William E.; Agarwal, Jay; Schaefer, 3rd, Henry F; Kubiak, Clifford P.; Walensky, Justin R. Synthesis, Spectroscopy, and Electrochemistry of (α-Diimine)M(CO)3Br, M = Mn, Re, Complexes: Ligands Isoelectronic to Bipyridyl Show Differences in CO2 Reduction. Organometallics 34(1) (2014) 3-12
Space group: P 43 21 2
Cell volume: 6387
Cell parameters: 18.305; 18.305; 19.061; 90; 90; 90;

COD ID: 4085065
CIF file	Formula: - C38 H40 Cl Fe N3 O4 - Comments: Bauer, Gerald; Wodrich, Matthew D.; Scopelliti, Rosario; Hu, Xile Iron Pincer Complexes as Catalysts and Intermediates in Alkyl‒Aryl Kumada Coupling Reactions Organometallics 34(1) (2015) 289 Space group: P 43 21 2 Cell volume: 3468.69 Cell parameters: 16.2274; 16.2274; 13.1725; 90; 90; 90;

COD ID: 4086170
CIF file	Formula: - C50 H65.39 B2 F8 Fe N4 O0.7 P2 - Comments: Huber, Raffael; Bigler, Raphael; Mezzetti, Antonio Chiral Iron(II) NPPN Complexes: Synthesis and Application in the Asymmetric Strecker Reaction of Azomethine Imines Organometallics 34(13) (2015) 3374 Space group: P 43 21 2 Cell volume: 4998.6 Cell parameters: 10.954; 10.954; 41.6585; 90; 90; 90;

COD ID: 4086171
CIF file	Formula: - C48 H64 F12 Fe N4 P2 Sb2 Si2 - Comments: Huber, Raffael; Bigler, Raphael; Mezzetti, Antonio Chiral Iron(II) NPPN Complexes: Synthesis and Application in the Asymmetric Strecker Reaction of Azomethine Imines Organometallics 34(13) (2015) 3374 Space group: P 43 21 2 Cell volume: 5669.1 Cell parameters: 11.2303; 11.2303; 44.95; 90; 90; 90;

COD ID: 4086476
CIF file	Formula: - C6 H2 F2 N2 O4 - Comments: Korb, Marcus; Swarts, Pieter J.; Miesel, Dominique; Hildebrandt, Alexander; Swarts, Jannie C.; Lang, Heinrich Nucleophilic Aromatic Substitution Reactions for the Synthesis of Ferrocenyl Aryl Ethers Organometallics 35(9) (2016) 1287 Space group: P 43 21 2 Cell volume: 742.05 Cell parameters: 5.8849; 5.8849; 21.4266; 90; 90; 90;

COD ID: 4086884

Formula: - C36 H84 Al3 Cr O12 -
Comments: Delley, Murielle F.; Silaghi, Marius-C.; Nuñez-Zarur, Francisco; Kovtunov, Kirill V.; Salnikov, Oleg G.; Estes, Deven P.; Koptyug, Igor V.; Comas-Vives, Aleix; Copéret, Christophe X‒H Bond Activation on Cr(III),O Sites (X = R, H): Key Steps in Dehydrogenation and Hydrogenation Processes Organometallics (2016)
Space group: P 43 21 2
Cell volume: 4817
Cell parameters: 12.3234; 12.3234; 31.719; 90; 90; 90;

COD ID: 4087060
CIF file	Formula: - C31 H22 N2 - Comments: He, Congfa; Wang, Bin; Gao, Mingli; Gu, Zhenhua Synthesis of Chiral Cleft C,N-Palladium and Iridium Complexes from 2,3:6,7-Dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and Their Synthetic Applications Organometallics (2017) Space group: P 43 21 2 Cell volume: 2154 Cell parameters: 9.665; 9.665; 23.059; 90; 90; 90;

COD ID: 4088110
CIF file	Formula: - C45 H42 P2 Ru S - Comments: Hu, Yue; Shaw, Anthony P.; Guan, Hairong; Norton, Jack R.; Sattler, Wesley; Rong, Yi Synthesis and Resolution of Chiral Ruthenium Complexes Containing the 1-Me-3-PhCp Ligand Organometallics 35(1) (2015) 39 Space group: P 43 21 2 Cell volume: 7516.8 Cell parameters: 13.8458; 13.8458; 39.21; 90; 90; 90;

COD ID: 4088729