Search results

Formula: - C24 H16 Cl2 Co N4 -
Comments: Chen, Xiaocui; Han, Shumin; Wang, Ruiyao; Li, Yuan Four supramolecular isomers of dichloridobis(1,10-phenanthroline)cobalt(II): synthesis, structure characterization and isomerization Acta Crystallographica Section C 72(1) (2016) 6-13
Space group: P 1 21/c 1
Cell volume: 2065.8
Cell parameters: 10.2035; 16.6206; 14.4854; 90; 122.76; 90;

COD ID: 2020310

Formula: - C27 H23 Cl2 Co N5 O -
Comments: Chen, Xiaocui; Han, Shumin; Wang, Ruiyao; Li, Yuan Four supramolecular isomers of dichloridobis(1,10-phenanthroline)cobalt(II): synthesis, structure characterization and isomerization Acta Crystallographica Section C 72(1) (2016) 6-13
Space group: P 1 21/c 1
Cell volume: 2534.5
Cell parameters: 16.092; 11.1929; 14.1149; 90; 94.487; 90;

COD ID: 2020311

Formula: - C8 H7 N O Te -
Comments: Myers, Joshua P.; Fronczek, Frank R.; Junk, Thomas The first crystal structures of six- and seven-membered tellurium- and nitrogen-containing (Te—N) heterocycles: 2H-1,4-benzotellurazin-3(4H)-one and 2,3-dihydro-1,5-benzotellurazepin-4(5H)-one Acta Crystallographica Section C 72(1) (2016) 1-5
Space group: P -1
Cell volume: 812.95
Cell parameters: 6.5667; 7.892; 17.2051; 87.291; 86.833; 65.99;

COD ID: 2020312

Formula: - C9 H9 N O Te -
Comments: Myers, Joshua P.; Fronczek, Frank R.; Junk, Thomas The first crystal structures of six- and seven-membered tellurium- and nitrogen-containing (Te—N) heterocycles: 2H-1,4-benzotellurazin-3(4H)-one and 2,3-dihydro-1,5-benzotellurazepin-4(5H)-one Acta Crystallographica Section C 72(1) (2016) 1-5
Space group: P 1 21/c 1
Cell volume: 1818.2
Cell parameters: 7.7404; 9.6523; 24.4699; 90; 96; 90;

COD ID: 2020313

Formula: - C20 H34 O8 -
Comments: Pullela, Srinivas Venkata; Acharya, Vinod; Reddy, Nagarjuna; Harlikar, Jayvant; Kulkarni, Amar; Chavan, Rakesh; Yadav, Ajay; Manna, Shuvendu; Ghosh, Angshuman Structural corroboration of two important building blocks of the anticancer drug eribulin mesylate through two-dimensional NMR and single-crystal X-ray diffraction studies Acta Crystallographica Section C 72(1) (2016) 14-20
Space group: P 21 21 21
Cell volume: 2062.2
Cell parameters: 7.224; 12.935; 22.0691; 90; 90; 90;

COD ID: 2020314

Formula: - C17 H24 O6 S -
Comments: Pullela, Srinivas Venkata; Acharya, Vinod; Reddy, Nagarjuna; Harlikar, Jayvant; Kulkarni, Amar; Chavan, Rakesh; Yadav, Ajay; Manna, Shuvendu; Ghosh, Angshuman Structural corroboration of two important building blocks of the anticancer drug eribulin mesylate through two-dimensional NMR and single-crystal X-ray diffraction studies Acta Crystallographica Section C 72(1) (2016) 14-20
Space group: P 21 21 21
Cell volume: 1732
Cell parameters: 7.593; 8.542; 26.7; 90; 90; 90;

COD ID: 2020315

Formula: - C10 H13 Co Cu N8 O -
Comments: Qin, Ying-Lian; Yao, Chen-Zhong; Yang, Bin-Wu; Qin, Jian-Fang; Gong, Qiao-Juan Synthesis, crystal structure and magnetic properties of a two-dimensional cyanide-based heterometallic coordination polymer with cationic piperazinium ligands: poly[aquatetra-μ~2~-cyanido-κ^8^C:N-dicyanido-κ^2^C-(piperazinium-κN^4^)cobalt(III)copper(II)] Acta Crystallographica Section C 72(1) (2016) 21-27
Space group: P b c m
Cell volume: 1472.58
Cell parameters: 7.2703; 14.6512; 13.8246; 90; 90; 90;

COD ID: 2020317

Formula: - C10 H26 N2 Na O14 P -
Comments: Ślepokura, Katarzyna Anna 3':5'-Cyclic nucleotides: two sodium salts of cdTMP Acta Crystallographica Section C 72(1) (2016) 35-47
Space group: P 1 21 1
Cell volume: 955.6
Cell parameters: 11.307; 6.17; 14.678; 90; 111.06; 90;

COD ID: 2020318
CIF file HKL data	Formula: - C10 H19.4 N2 Na O10.7 P - Comments: Ślepokura, Katarzyna Anna 3':5'-Cyclic nucleotides: two sodium salts of cdTMP Acta Crystallographica Section C 72(1) (2016) 35-47 Space group: C 1 2 1 Cell volume: 12971 Cell parameters: 32.936; 19.718; 21.569; 90; 112.18; 90;

COD ID: 2020319

Formula: - C12 H42 Cl4 Ge N6 O12 -
Comments: Neis, Christian; Morgenstern, Bernd; Hegetschweiler, Kaspar Hydrogen-bonding patterns in bis[2,4,6-triazaniumylcyclohexane-1,3,5-tris(olate)-κ^3^O,O',O'']germanium(IV) tetrachloride hexahydrate Acta Crystallographica Section C 72(1) (2016) 28-34
Space group: P -1
Cell volume: 1299.78
Cell parameters: 8.5247; 10.9152; 15.1592; 82.98; 79.248; 70.022;

COD ID: 2020320

Formula: - C15 H14 Cl N3 -
Comments: Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Similar molecular constitutions but different conformations and different supramolecular assemblies in two related fused tetracyclic benzo[b]pyrimido[5,4-f]azepine derivatives Acta Crystallographica Section C 72(1) (2016) 52-56
Space group: P 1 21/c 1
Cell volume: 1264.07
Cell parameters: 6.625; 22.4796; 8.6355; 90; 100.61; 90;

COD ID: 2020321

Formula: - C16 H16 Cl N3 -
Comments: Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Similar molecular constitutions but different conformations and different supramolecular assemblies in two related fused tetracyclic benzo[b]pyrimido[5,4-f]azepine derivatives Acta Crystallographica Section C 72(1) (2016) 52-56
Space group: P -1
Cell volume: 683.4
Cell parameters: 8.184; 9.5399; 10.2185; 104.471; 101.049; 111.324;

COD ID: 2020322

Formula: - C7 H7 Cl2 Cu3 N2 O2 -
Comments: Khosa, Muhammad Kaleem; Wood, Paul T.; Humphrey, Simon M.; Harrison, William T. A. An unusual coordination polymer containing Cu^+^ ions and featuring possible Cu···Cu `cuprophilic' interactions: poly[di-μ-chlorido-(μ~4~-3,5-diaminobenzoato-κ^4^O:O':N:N')tricopper(I)(3 Cu—Cu)] Acta Crystallographica Section C 72(1) (2016) 63-67
Space group: P 1 21/n 1
Cell volume: 3071.2
Cell parameters: 14.4127; 10.8942; 20.2348; 90; 104.84; 90;

COD ID: 2020323

Formula: - C15 H23.57 Cl N O1.79 -
Comments: Wood, Matthew R.; Bernal, Ivan; Lalancette, Roger A. The dangerous new synthetic drug α-PVP as the hydrated chloride salt α-pyrrolidinopentiophenone hydrochloride 0.786-hydrate Acta Crystallographica Section C 72(1) (2016) 48-51
Space group: P 1 21/c 1
Cell volume: 1552.82
Cell parameters: 13.9428; 9.3285; 13.6865; 90; 119.273; 90;

COD ID: 2020324

Formula: - C26 H20 Cl2 N4 -
Comments: Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Horton, Peter N.; Akkurt, Mehmet; Glidewell, Christopher Triclinic and monoclinic polymorphs of meso-(E,E)-1,1'-[1,2-bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene): the high-yield synthesis of an unexpected product, concomitant polymorphism and configurational disorder Acta Crystallographica Section C 72(1) (2016) 57-62
Space group: P -1
Cell volume: 573.15
Cell parameters: 6.1037; 9.3345; 10.4146; 83.039; 77.139; 85.055;

COD ID: 2020325

Formula: - C26 H20 Cl2 N4 -
Comments: Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Horton, Peter N.; Akkurt, Mehmet; Glidewell, Christopher Triclinic and monoclinic polymorphs of meso-(E,E)-1,1'-[1,2-bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene): the high-yield synthesis of an unexpected product, concomitant polymorphism and configurational disorder Acta Crystallographica Section C 72(1) (2016) 57-62
Space group: C 1 2/c 1
Cell volume: 2316.9
Cell parameters: 22.657; 5.4399; 19.086; 90; 99.967; 90;

COD ID: 2020326

Formula: - C11 H13 N3 O3 S2 -
Comments: Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Mazerant, Ida; Kałużyńska, Sylwia; Foks, Henryk; Główka, Marek L. Planarity of benzoyldithiocarbazate tuberculostatics. II. Diesters of benzoyldithiocarbazic acid Acta Crystallographica Section C 72(1) (2016) 75-79
Space group: P 1 21/n 1
Cell volume: 1382.94
Cell parameters: 6.5716; 16.3193; 12.8982; 90; 91.219; 90;

COD ID: 2020327

Formula: - C23 H21 N3 O3 S2 -
Comments: Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Mazerant, Ida; Kałużyńska, Sylwia; Foks, Henryk; Główka, Marek L. Planarity of benzoyldithiocarbazate tuberculostatics. II. Diesters of benzoyldithiocarbazic acid Acta Crystallographica Section C 72(1) (2016) 75-79
Space group: P 1 21/c 1
Cell volume: 4510.2
Cell parameters: 28.5519; 7.9549; 21.393; 90; 111.841; 90;

COD ID: 2020328

Formula: - C16 H15 N3 O3 S2 -
Comments: Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Mazerant, Ida; Kałużyńska, Sylwia; Foks, Henryk; Główka, Marek L. Planarity of benzoyldithiocarbazate tuberculostatics. II. Diesters of benzoyldithiocarbazic acid Acta Crystallographica Section C 72(1) (2016) 75-79
Space group: P 1 21/n 1
Cell volume: 1748.9
Cell parameters: 7.3383; 31.5484; 8.0521; 90; 110.253; 90;

COD ID: 2020329

Formula: - C22 H24 Cl3 N5 O2 Zn2 -
Comments: Wegeberg, Christina; McKee, Vickie; McKenzie, Christine J. A coordinatively flexible hexadentate ligand gives structurally isomeric complexes M~2~(L)X~3~ (M = Cu, Zn; X = Br, Cl) Acta Crystallographica Section C 72(1) (2016) 68-74
Space group: P 1 21/n 1
Cell volume: 2491.6
Cell parameters: 9.4985; 11.3423; 23.3697; 90; 98.263; 90;

COD ID: 2020330

Formula: - C22 H24 Br3 N5 O2 Zn2 -
Comments: Wegeberg, Christina; McKee, Vickie; McKenzie, Christine J. A coordinatively flexible hexadentate ligand gives structurally isomeric complexes M~2~(L)X~3~ (M = Cu, Zn; X = Br, Cl) Acta Crystallographica Section C 72(1) (2016) 68-74
Space group: P c a 21
Cell volume: 5101.3
Cell parameters: 18.7061; 13.3342; 20.4516; 90; 90; 90;

COD ID: 2020331

Formula: - C44 H63 Br6 Cu4 N10 O11.5 -
Comments: Wegeberg, Christina; McKee, Vickie; McKenzie, Christine J. A coordinatively flexible hexadentate ligand gives structurally isomeric complexes M~2~(L)X~3~ (M = Cu, Zn; X = Br, Cl) Acta Crystallographica Section C 72(1) (2016) 68-74
Space group: P -1
Cell volume: 2866.1
Cell parameters: 11.2516; 15.0606; 18.3213; 112.087; 94.38; 90.486;

COD ID: 2020332

Formula: - F4 H6 O5 V2 -
Comments: Black, Cameron; Lightfoot, Philip V~2~O~2~F~4~(H~2~O)~2~·H~2~O: a new V^4+^ layer structure related to VOF~3~ Acta Crystallographica Section C 72(1) (2016) 80-83
Space group: C 1 2/c 1
Cell volume: 664.5
Cell parameters: 14.453; 4.8879; 9.663; 90; 103.24; 90;

COD ID: 2020333

Formula: - C21 H22 Cl4 N14 O4 -
Comments: Gerhardt, Valeska; Bolte, Michael 6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal? Acta Crystallographica Section C 72(1) (2016) 84-93
Space group: P -1
Cell volume: 1360.7
Cell parameters: 10.8229; 11.7395; 12.7637; 62.633; 70.877; 81.182;

COD ID: 2020334

Formula: - C63 H66 Cl12 N42 O12 -
Comments: Gerhardt, Valeska; Bolte, Michael 6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal? Acta Crystallographica Section C 72(1) (2016) 84-93
Space group: P -1
Cell volume: 4137.9
Cell parameters: 14.0097; 14.0185; 21.4229; 83.774; 84; 83.554;

COD ID: 2020335

Formula: - C5 H6 Br N3 O -
Comments: Gerhardt, Valeska; Bolte, Michael 6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal? Acta Crystallographica Section C 72(1) (2016) 84-93
Space group: P 1 21/n 1
Cell volume: 1332.6
Cell parameters: 9.8154; 9.9532; 14.344; 90; 108.021; 90;

COD ID: 2020336

Formula: - C15 H21 Br2 N7 O3 -
Comments: Gerhardt, Valeska; Bolte, Michael 6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal? Acta Crystallographica Section C 72(1) (2016) 84-93
Space group: P 1 21/n 1
Cell volume: 1892.8
Cell parameters: 11.7075; 14.0308; 11.8308; 90; 103.096; 90;

COD ID: 2020337

Formula: - C9.64 H11.27 Br1.64 Cl0.37 N6 O2 -
Comments: Gerhardt, Valeska; Bolte, Michael 6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal? Acta Crystallographica Section C 72(1) (2016) 84-93
Space group: P 1 21/n 1
Cell volume: 1314.9
Cell parameters: 9.27; 11.423; 12.559; 90; 98.61; 90;

COD ID: 2020385

Formula: - C10 H10 Cl N O2 -
Comments: Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon Synthesis and crystal structures of the potential tyrosinase inhibitors N-(4-acetylphenyl)-2-chloroacetamide and 2-(4-acetylanilino)-2-oxoethyl cinnamate Acta Crystallographica Section C 72(2) (2016) 94-98
Space group: P 21 21 21
Cell volume: 997.19
Cell parameters: 4.1713; 14.7792; 16.1755; 90; 90; 90;

COD ID: 2020386

Formula: - C19 H17 N O4 -
Comments: Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon Synthesis and crystal structures of the potential tyrosinase inhibitors N-(4-acetylphenyl)-2-chloroacetamide and 2-(4-acetylanilino)-2-oxoethyl cinnamate Acta Crystallographica Section C 72(2) (2016) 94-98
Space group: P c a 21
Cell volume: 1662
Cell parameters: 9.7969; 17.594; 9.6425; 90; 90; 90;

COD ID: 2020388

Formula: - C12 H18 Cl2 N2 O2 -
Comments: Rukiah, Mwaffak; Al-Ktaifani, Mahmoud M.; Sabra, Mohammad K. Reaction-path calculations and crystal structures of 1,1'-(ethylene-1,2-diyl)dipyridinium dichloride dihydrate and 1,1'-(ethylene-1,2-diyl)dipyridinium dibromide Acta Crystallographica Section C 72(2) (2016)
Space group: P -1
Cell volume: 359.25
Cell parameters: 5.3844; 7.3682; 9.7405; 104.395; 102.234; 97.2263;

COD ID: 2020389

Formula: - C12 H14 Br2 N2 -
Comments: Rukiah, Mwaffak; Al-Ktaifani, Mahmoud M.; Sabra, Mohammad K. Reaction-path calculations and crystal structures of 1,1'-(ethylene-1,2-diyl)dipyridinium dichloride dihydrate and 1,1'-(ethylene-1,2-diyl)dipyridinium dibromide Acta Crystallographica Section C 72(2) (2016)
Space group: P -1
Cell volume: 332.33
Cell parameters: 5.7608; 6.4257; 9.6848; 80.7074; 81.2351; 70.8554;

COD ID: 2020390

Formula: - C21 H22 O8 -
Comments: Noguchi, Shuji; Atsumi, Haruka; Iwao, Yasunori; Kan, Toshiyuki; Itai, Shigeru Nobiletin: a citrus flavonoid displaying potent physiological activity Acta Crystallographica Section C 72(2) (2016) 124-127
Space group: P 21 21 21
Cell volume: 1833
Cell parameters: 19.3239; 22.921; 4.1385; 90; 90; 90;

COD ID: 2020391

Formula: - C11 H15 N O4 -
Comments: Smith, Graham; Lynch, Daniel E. Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues Acta Crystallographica Section C 72(2) (2016) 105-111
Space group: P 1 21 1
Cell volume: 564.73
Cell parameters: 6.7342; 7.8271; 10.7822; 90; 96.442; 90;

COD ID: 2020392

Formula: - C11 H13 N3 O8 -
Comments: Smith, Graham; Lynch, Daniel E. Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues Acta Crystallographica Section C 72(2) (2016) 105-111
Space group: I 1 2/a 1
Cell volume: 2631.1
Cell parameters: 17.8382; 10.322; 14.5599; 90; 101.06; 90;

COD ID: 2020393

Formula: - C11 H13 N3 O7 -
Comments: Smith, Graham; Lynch, Daniel E. Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues Acta Crystallographica Section C 72(2) (2016) 105-111
Space group: C 1 2/c 1
Cell volume: 2572.3
Cell parameters: 21.208; 5.6443; 23.9753; 90; 116.326; 90;

COD ID: 2020394

Formula: - C11 H15 N3 O5 -
Comments: Smith, Graham; Lynch, Daniel E. Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues Acta Crystallographica Section C 72(2) (2016) 105-111
Space group: P 1 21/n 1
Cell volume: 1247.15
Cell parameters: 9.1015; 7.1128; 19.2693; 90; 91.233; 90;

COD ID: 2020395

Formula: - C24 H16 N4 O8 Zn -
Comments: Tang, Long; Wang, Ji-Jiang; Fu, Feng; Wang, Sheng-Wen; Liu, Qi-Rui A threefold interpenetrated two-dimensional zinc(II) supramolecular architecture based on 3-nitrobenzoic acid and 4,4'-bipyridine Acta Crystallographica Section C 72(2) (2016) 128-132
Space group: P 1 21/c 1
Cell volume: 2321
Cell parameters: 20.526; 7.5873; 15.473; 90; 105.598; 90;

COD ID: 2020396

Formula: - C32 H40 Cu4 N8 O12 S2 -
Comments: Jiao, Chen; Zhang, Si-Si; Li, Zuo-Yin; Liu, Jian-Jun; Lin, Mei-Jin; Huang, Chang-Cang Syntheses and structures of discrete copper(II) and cadmium(II) supramolecular complexes based on 1,4-diacylthiosemicarbazone ligands Acta Crystallographica Section C 72(2) (2016) 119-123
Space group: P -1
Cell volume: 987
Cell parameters: 8.4421; 11.435; 11.909; 111.67; 107.76; 95.87;

COD ID: 2020397

Formula: - C42 H44 Cd2 N12 O14 S2 -
Comments: Jiao, Chen; Zhang, Si-Si; Li, Zuo-Yin; Liu, Jian-Jun; Lin, Mei-Jin; Huang, Chang-Cang Syntheses and structures of discrete copper(II) and cadmium(II) supramolecular complexes based on 1,4-diacylthiosemicarbazone ligands Acta Crystallographica Section C 72(2) (2016) 119-123
Space group: P -1
Cell volume: 1187.2
Cell parameters: 9.959; 10.531; 12.617; 81.35; 82.13; 65.6;

COD ID: 2020398

Formula: - C42 H34 N4 O14 Zn2 -
Comments: Lu, Ji-Tao; Meng, Dan-Dan; Meng, Qing-Guo Assembly of Zn^II^ and Cd^II^ coordination polymers based on a flexible multicarboxylate ligand and nitrogen-containing auxiliary ligands through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties Acta Crystallographica Section C 72(2) (2016) 99-104
Space group: P -1
Cell volume: 985.5
Cell parameters: 9.5585; 10.0434; 10.6027; 92.365; 94.032; 103.509;

COD ID: 2020399

Formula: - C52 H44 Cd2 N6 O14 -
Comments: Lu, Ji-Tao; Meng, Dan-Dan; Meng, Qing-Guo Assembly of Zn^II^ and Cd^II^ coordination polymers based on a flexible multicarboxylate ligand and nitrogen-containing auxiliary ligands through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties Acta Crystallographica Section C 72(2) (2016) 99-104
Space group: P -1
Cell volume: 1195.55
Cell parameters: 6.8275; 12.7613; 14.877; 106.134; 101.602; 97.496;

COD ID: 2020400

Formula: - C16 H37 Cl N4 O7 -
Comments: Jurek, Paul; Reibenspies, Joseph H.; Kiefer, Garry E. CB-TE2A^+^·Cl^{-^}·3H~2~O: a short intermolecular hydrogen bond between zwitterionic bicyclo[6.6.2]tetraamine macrocycles Acta Crystallographica Section C 72(2) (2016) 139-142
Space group: P -1
Cell volume: 1042.33
Cell parameters: 8.3119; 10.7358; 12.2031; 106.332; 90.296; 93.842;

COD ID: 2020401

Formula: - C13 H9 N O4 Zn -
Comments: Zhou, Li-Juan; Han, Chang-Bao; Wang, Yu-Ling Two-dimensional Zn^II^ and one-dimensional Co^II^ coordination polymers based on benzene-1,4-dicarboxylate and pyridine ligands Acta Crystallographica Section C 72(2) (2016) 133-138
Space group: P 1 21/n 1
Cell volume: 1225.7
Cell parameters: 7.3974; 16.5945; 10.3281; 90; 104.815; 90;

COD ID: 2020402
CIF file HKL data	Formula: - C18 H16 Co N2 O5 - Comments: Zhou, Li-Juan; Han, Chang-Bao; Wang, Yu-Ling Two-dimensional Zn^II^ and one-dimensional Co^II^ coordination polymers based on benzene-1,4-dicarboxylate and pyridine ligands Acta Crystallographica Section C 72(2) (2016) 133-138 Space group: C 1 2/c 1 Cell volume: 3441.3 Cell parameters: 20.8487; 8.9363; 20.736; 90; 117.032; 90;

COD ID: 2020403

Formula: - C30 H38 Co2 N2 O18 -
Comments: Xie, Min; Xu, Guo-Hai Bis(triethanolamine)bis(μ~2~-trimesato)dicobalt(II): a Co^II^ dimer with an unreported two-dimensional supramolecular topology formed from triethanolamine and trimesic acid ligands Acta Crystallographica Section C 72(2) (2016) 143-148
Space group: P 1 21/n 1
Cell volume: 1689.77
Cell parameters: 13.1337; 9.8973; 14.5191; 90; 116.449; 90;

COD ID: 2020404

Formula: - C23 H20 Cu2 N8 O2 -
Comments: Hopa, Cigdem; Cokay, Ismail Synthesis, structural characterization and thermal properties of a new copper(II) one-dimensional coordination polymer based on bridging N,N'-bis(2-hydroxybenzylidene)-2,2-dimethylpropane-1,3-diamine and dicyanamide ligands Acta Crystallographica Section C 72(2) (2016) 149-154
Space group: P -1
Cell volume: 1151.91
Cell parameters: 10.114; 10.1578; 11.9844; 72.725; 87.397; 78.487;

COD ID: 2020405

Formula: - C62 H64 Mo2 N10 Ni6 O23 -
Comments: Dou, Ming-Yu; Lu, Jing A novel octanuclear nickel(II)‒molybdenum(VI) heterometallic cluster based on the salicylhydroxamate ligand Acta Crystallographica Section C 72(2) (2016) 161-165
Space group: P -1
Cell volume: 1767.6
Cell parameters: 10.5079; 12.7461; 14.585; 111.551; 95.979; 98.854;

COD ID: 2020406

Formula: - C4 H10 N8 Na2 O6 -
Comments: Guo, Jiajia; Cao, Wenli; Li, Shuailei; Miao, Kanghua; Song, Jirong; Huang, Jie Synthesis and crystal structure of a two-dimensional sodium coordination polymer of 4,4'-(diazenediyl)bis(1H-1,2,4-triazol-5-one) Acta Crystallographica Section C 72(2) (2016) 166-169
Space group: P b c a
Cell volume: 1173.1
Cell parameters: 6.4055; 11.587; 15.805; 90; 90; 90;

COD ID: 2020407

Formula: - C15 H15 Cl N2 O -
Comments: Buist, Amanda R.; Kennedy, Alan R. Salt forms of the pharmaceutical amide dihydrocarbamazepine Acta Crystallographica Section C 72(2) (2016) 155-160
Space group: P 21 21 21
Cell volume: 2715.5
Cell parameters: 5.4867; 9.8381; 50.3061; 90; 90; 90;

COD ID: 2020408

Formula: - C15 H17 Cl N2 O2 -
Comments: Buist, Amanda R.; Kennedy, Alan R. Salt forms of the pharmaceutical amide dihydrocarbamazepine Acta Crystallographica Section C 72(2) (2016) 155-160
Space group: P 1 21/c 1
Cell volume: 1421.7
Cell parameters: 5.3048; 24.4966; 11.0163; 90; 96.731; 90;

COD ID: 2020409

Formula: - C15 H17 Br N2 O2 -
Comments: Buist, Amanda R.; Kennedy, Alan R. Salt forms of the pharmaceutical amide dihydrocarbamazepine Acta Crystallographica Section C 72(2) (2016) 155-160
Space group: P 1 21/c 1
Cell volume: 1468.02
Cell parameters: 5.4857; 24.5526; 10.9796; 90; 96.931; 90;

COD ID: 2020410

Formula: - C30 H34 Cl2 Co N10 O6 -
Comments: Zhong, Di-Chang; Wen, Ya-Qiong; Deng, Ji-Hua; Jian, Tao-Hua; Wang, Ke-Jun Two cobalt(II) supramolecular isomers based on N,N'-bis(pyridin-3-yl)oxalamide induced by the molecular orientation of lattice DMF molecules Acta Crystallographica Section C 72(2) (2016) 170-173
Space group: P -1
Cell volume: 846.53
Cell parameters: 8.5194; 10.0059; 10.2685; 82.304; 84.182; 78.163;

COD ID: 2020411

Formula: - C30 H34 Cl2 Co N10 O6 -
Comments: Zhong, Di-Chang; Wen, Ya-Qiong; Deng, Ji-Hua; Jian, Tao-Hua; Wang, Ke-Jun Two cobalt(II) supramolecular isomers based on N,N'-bis(pyridin-3-yl)oxalamide induced by the molecular orientation of lattice DMF molecules Acta Crystallographica Section C 72(2) (2016) 170-173
Space group: P -1
Cell volume: 841.06
Cell parameters: 9.2991; 9.3832; 10.7003; 66.316; 79.647; 85.347;

COD ID: 2020413

Formula: - C17 H12 Cd N O5 -
Comments: Yu, Cai-Xia; Gao, Yan-Ping; Cui, Xiao-Qing; Guo, Meng-Jiao; Liu, Lei-Lei The crystal structure and photocatalytic properties of a three-dimensional cadmium(II) metal‒organic framework: poly[bis(μ~3~-benzene-1,2-dicarboxylato)[μ~2~-1,4-bis(pyridin-3-ylmethoxy)benzene]dicadmium(II)] Acta Crystallographica Section C 72(3) (2016) 174-178
Space group: C 1 2/c 1
Cell volume: 3006.2
Cell parameters: 19.49; 9.985; 15.54; 90; 96.25; 90;

COD ID: 2020414

Formula: - C41 H44 O5.3 -
Comments: Guzei, Ilia A.; Miles, Kelsey C. Ab initio X-ray structural characterization of an inclusion compound with a compositionally disordered chiral guest: no prior knowledge of the crystal composition Acta Crystallographica Section C 72(3) (2016) 179-183
Space group: P 21 21 21
Cell volume: 3306.7
Cell parameters: 9.5183; 9.595; 36.207; 90; 90; 90;

COD ID: 2020415

Formula: - C22 H11 B F12 -
Comments: Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes Acta Crystallographica Section C 72(3) (2016) 189-197
Space group: P 21 21 21
Cell volume: 4213.7
Cell parameters: 8.3748; 18.2499; 27.5695; 90; 90; 90;

COD ID: 2020416

Formula: - C24 H9 B F18 -
Comments: Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes Acta Crystallographica Section C 72(3) (2016) 189-197
Space group: P -1
Cell volume: 1230.38
Cell parameters: 8.2059; 8.7103; 18.0982; 103.491; 95.43; 99.093;

COD ID: 2020417

Formula: - C24 H9 B F18 -
Comments: Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes Acta Crystallographica Section C 72(3) (2016) 189-197
Space group: P -1
Cell volume: 1232.1
Cell parameters: 10.8257; 11.4704; 12.0198; 117.067; 101.774; 100.795;

COD ID: 2020418

Formula: - C26 H25 B F6 -
Comments: Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes Acta Crystallographica Section C 72(3) (2016) 189-197
Space group: P 1 21/n 1
Cell volume: 2346.1
Cell parameters: 8.35; 34.37; 8.5512; 90; 107.062; 90;

COD ID: 2020419

Formula: - C16 H6 B F13 -
Comments: Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes Acta Crystallographica Section C 72(3) (2016) 189-197
Space group: P 1 21/n 1
Cell volume: 1685.7
Cell parameters: 12.9807; 9.2709; 15.269; 90; 113.455; 90;

COD ID: 2020420

Formula: - C17 H19 F2 N3 O Pt -
Comments: Raven, William; Joschko, Thomas; Kalf, Irmgard; Englert, Ulli Hydrogen versus fluorine: effects on molecular structure and intermolecular interactions in a platinum isocyanate complex Acta Crystallographica Section C 72(3) (2016) 184-188
Space group: P 21 21 21
Cell volume: 1643.5
Cell parameters: 4.5317; 12.6474; 28.675; 90; 90; 90;

COD ID: 2020421

Formula: - C16 H16 F6 N4 O6 S2 -
Comments: Duhayon, Carine; Canac, Yves; Dubrulle, Laurent; Maaliki, Carine; Chauvin, Remi The search for formal electrostatic effects on molecular conformation and crystal packing: crystal structure of 2,2''-disubstituted (H versus PPh~2~) 1,1'-(1,2-phenylene)bis(3-methyl-1H-imidazol-3-ium) bis(trifluoromethanesulfonate) Acta Crystallographica Section C 72(3) (2016) 198-202
Space group: P 1 21/c 1
Cell volume: 2113.53
Cell parameters: 11.37505; 16.09785; 11.60677; 90; 96.0475; 90;

COD ID: 2020422

Formula: - C14 H15 N5 O3 -
Comments: Fischer, Franziska; Schmidt, Martin U.; Greiser, Sebastian; Emmerling, Franziska The challenging case of the theophylline‒benzamide cocrystal Acta Crystallographica Section C 72(3) (2016) 217-224
Space group: P 41
Cell volume: 2765.19
Cell parameters: 10.281404; 10.281404; 26.15892; 90; 90; 90;

COD ID: 2020423

Formula: - C30 H60 Cl6 Hg3 N6 O2 P2 -
Comments: Saneei, Anahid; Pourayoubi, Mehrdad; Crochet, Aurelien; Fromm, Katharina M. The first phosphoramide‒mercury(II) complex with a Cl~2~Hg‒OP[N(C)(C)]~3~ segment Acta Crystallographica Section C 72(3) (2016) 230-233
Space group: P 1 21/n 1
Cell volume: 2265
Cell parameters: 11.1182; 10.5995; 19.338; 90; 96.337; 90;

COD ID: 2020424

Formula: - C9 H24 N2 O5 -
Comments: Ben Nasr, Mahjouba; Aubert, Emmanuel; Espinosa, Enrique A comparative study of two polymorphs of bis(1-hydroxy-2-methylpropan-2-aminium) carbonate Acta Crystallographica Section C 72(3) (2016) 225-229
Space group: C 1 2/c 1
Cell volume: 1239.7
Cell parameters: 10.6114; 6.3184; 19.063; 90; 104.075; 90;

COD ID: 2020425

Formula: - C32 H22 Cu N4 O2 -
Comments: Chatturgoon, Teshica; Akerman, Matthew P. X-ray and DFT-calculated structures of bis[N-(quinolin-8-yl)benzamidato-κ^2^N,N']copper(II) Acta Crystallographica Section C 72(3) (2016) 234-238
Space group: P -1
Cell volume: 1227.39
Cell parameters: 9.7987; 10.3849; 13.9923; 79.948; 69.724; 66.911;

COD ID: 2020426

Formula: - C4 H8 Fe Na O12 -
Comments: Benhacine, Mohamed Al Amine; Hamadène, Malika; Bouacida, Sofiane; Merazig, Hocine The new one-dimensional coordination polymer catena-poly[[diaquasodium(I)]-μ-oxalato-[diaquairon(III)]-μ-oxalato] Acta Crystallographica Section C 72(3) (2016) 243-250
Space group: I 41
Cell volume: 1045.44
Cell parameters: 9.8572; 9.8572; 10.7595; 90; 90; 90;

COD ID: 2020427

Formula: - C41.5 H40 Cl6 Cu2 N8 O9 -
Comments: Barati, Kazem; Clegg, William; Habibi, Mohammad Hossein; Harrington, Ross W.; Lalegani, Arash; Montazerozohori, Morteza Synthesis and crystal structure of the dinuclear copper(II) Schiff base complex μ-hydroxido-μ-chlorido-bis{[bis(trans-2-nitrocinnamaldehyde)ethylenediamine]chloridocopper(II)} dichloromethane sesquisolvate Acta Crystallographica Section C 72(3) (2016) 239-242
Space group: C 1 2/c 1
Cell volume: 9824
Cell parameters: 33.62; 14.897; 20.948; 90; 110.544; 90;

COD ID: 2020430

Formula: - C21 H15 Cl F4 N4 O3 -
Comments: Sun, Meng-Ying; Wu, Su-Xiang; Zhou, Xin-Bo; Gu, Jian-Ming; Hu, Xiu-Rong Comparison of the crystal structures of the potent anticancer and anti-angiogenic agent regorafenib and its monohydrate Acta Crystallographica Section C 72(4) (2016) 291-296
Space group: P 1 21/c 1
Cell volume: 2126.5
Cell parameters: 7.6972; 24.3703; 11.358; 90; 93.545; 90;

COD ID: 2020431

Formula: - C21 H17 Cl F4 N4 O4 -
Comments: Sun, Meng-Ying; Wu, Su-Xiang; Zhou, Xin-Bo; Gu, Jian-Ming; Hu, Xiu-Rong Comparison of the crystal structures of the potent anticancer and anti-angiogenic agent regorafenib and its monohydrate Acta Crystallographica Section C 72(4) (2016) 291-296
Space group: P 1 21/c 1
Cell volume: 2154.78
Cell parameters: 4.7783; 21.9538; 20.5581; 90; 92.341; 90;

COD ID: 2020432

Formula: - C18 H20 N2 O6 S2 -
Comments: Gaytán-Barrientos, Nancy Sarahy; Morales-Morales, David; Herrera-Ruiz, Dea; Reyes-Martínez, Reyna; Rivera-Islas, Jesús Sulfonate salts of the therapeutic agent dapsone: 4-[(4-aminophenyl)sulfonyl]anilinium benzenesulfonate monohydrate and 4-[(4-aminophenyl)sulfonyl]anilinium methanesulfonate monohydrate Acta Crystallographica Section C 72(4) (2016) 280-284
Space group: P 1 21/n 1
Cell volume: 1876.6
Cell parameters: 15.722; 6.1383; 19.5185; 90; 94.954; 90;

COD ID: 2020433

Formula: - C13 H18 N2 O6 S2 -
Comments: Gaytán-Barrientos, Nancy Sarahy; Morales-Morales, David; Herrera-Ruiz, Dea; Reyes-Martínez, Reyna; Rivera-Islas, Jesús Sulfonate salts of the therapeutic agent dapsone: 4-[(4-aminophenyl)sulfonyl]anilinium benzenesulfonate monohydrate and 4-[(4-aminophenyl)sulfonyl]anilinium methanesulfonate monohydrate Acta Crystallographica Section C 72(4) (2016) 280-284
Space group: P 1 21/n 1
Cell volume: 1628.88
Cell parameters: 15.9355; 6.0062; 17.1547; 90; 97.222; 90;

COD ID: 2020434

Formula: - C36 H36 N16 Ni2 O14 S2 -
Comments: Wu, Xiang-Wen; Yin, Shi; Wu, Wan-Fu; Ma, Jian-Ping Synthesis and characterization of two novel bimetallic macrocyclic complexes generated from 1,2,4-triazole-containing semi-rigid ligands and M(NO~3~)~2~ units (M = Ni and Zn) Acta Crystallographica Section C 72(4) (2016) 285-290
Space group: P -1
Cell volume: 1124.11
Cell parameters: 9.4131; 9.9334; 13.0829; 77.65; 83.824; 70.284;

COD ID: 2020435

Formula: - C36 H36 N16 O14 S2 Zn2 -
Comments: Wu, Xiang-Wen; Yin, Shi; Wu, Wan-Fu; Ma, Jian-Ping Synthesis and characterization of two novel bimetallic macrocyclic complexes generated from 1,2,4-triazole-containing semi-rigid ligands and M(NO~3~)~2~ units (M = Ni and Zn) Acta Crystallographica Section C 72(4) (2016) 285-290
Space group: P -1
Cell volume: 2212.53
Cell parameters: 10.0414; 14.4893; 15.6001; 88.257; 81.614; 80.184;

COD ID: 2020436

Formula: - C24 H12 B Cl N6 -
Comments: Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P. Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation Acta Crystallographica Section C 72(4) (2016) 297-307
Space group: P n m a
Cell volume: 1833.2
Cell parameters: 12.0347; 14.806; 10.2883; 90; 90; 90;

COD ID: 2020437

Formula: - C24 H12 B Cl N6 -
Comments: Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P. Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation Acta Crystallographica Section C 72(4) (2016) 297-307
Space group: P n m a
Cell volume: 1822.6
Cell parameters: 12.0156; 14.8099; 10.242; 90; 90; 90;

COD ID: 2020438

Formula: - C24 H12 B Cl N6 -
Comments: Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P. Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation Acta Crystallographica Section C 72(4) (2016) 297-307
Space group: P n m a
Cell volume: 1815.9
Cell parameters: 11.9993; 14.7761; 10.242; 90; 90; 90;

COD ID: 2020439

Formula: - C24 H12 B Cl N6 -
Comments: Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P. Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation Acta Crystallographica Section C 72(4) (2016) 297-307
Space group: P n m a
Cell volume: 1825.3
Cell parameters: 12.0187; 14.798; 10.2632; 90; 90; 90;

COD ID: 2020440

Formula: - C24 H12 B Cl N6 -
Comments: Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P. Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation Acta Crystallographica Section C 72(4) (2016) 297-307
Space group: P n m a
Cell volume: 1863
Cell parameters: 12.0634; 14.8634; 10.3901; 90; 90; 90;

COD ID: 2020441

Formula: - C30 H28 N4 O6 Sn -
Comments: Linden, Anthony; Basu Baul, Tushar S. π‒π stacking motifs in dialkylbis{5-[(E)-2-aryldiazen-1-yl]-2-hydroxybenzoato}tin(IV) complexes Acta Crystallographica Section C 72(4) (2016) 313-325
Space group: P -1
Cell volume: 2840.09
Cell parameters: 10.1883; 12.9209; 23.0447; 102.352; 95.2584; 104.153;

COD ID: 2020442

Formula: - C78 H86 N8 O12 Sn2 -
Comments: Linden, Anthony; Basu Baul, Tushar S. π‒π stacking motifs in dialkylbis{5-[(E)-2-aryldiazen-1-yl]-2-hydroxybenzoato}tin(IV) complexes Acta Crystallographica Section C 72(4) (2016) 313-325
Space group: P -1
Cell volume: 3591.71
Cell parameters: 12.0462; 13.6264; 22.8143; 102.267; 100.318; 91.6029;

COD ID: 2020443

Formula: - C90 H128 Ca2 N12 O26 S4 -
Comments: Cong, Hengjiang Crystal structure and bonding analysis of the first dinuclear calcium(II)‒proton-pump inhibitor (PPI) `butterfly molecule': a combined microcrystal synchrotron and DFT study Acta Crystallographica Section C 72(4) (2016) 326-336
Space group: C 1 2 1
Cell volume: 5010.1
Cell parameters: 32.1; 10.56; 15.8; 90; 110.7; 90;

COD ID: 2020444

Formula: - C28 H38 Cl4 N16 O2 S4 Zn -
Comments: Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan Supramolecular hydrogen-bonding patterns in the organic‒inorganic hybrid compound bis(4-amino-5-chloro-2,6-dimethylpyrimidinium) tetrathiocyanatozinc(II)‒4-amino-5-chloro-2,6-dimethylpyrimidine‒water (1/2/2) Acta Crystallographica Section C 72(4) (2016) 337-340
Space group: C 1 2/c 1
Cell volume: 4344.8
Cell parameters: 19.4354; 16.7556; 15.3266; 90; 119.483; 90;

COD ID: 2020445

Formula: - C12 H8 Cl I4 N O -
Comments: Bartashevich, E. V.; Batalov, V. I.; Yushina, I. D.; Stash, A. I.; Chen, Y. S. Nontypical iodine‒halogen bonds in the crystal structure of (3E)-8-chloro-3-iodomethylidene-2,3-dihydro-1,4-oxazino[2,3,4-ij]quinolin-4-ium triiodide Acta Crystallographica Section C 72(4) (2016) 341-345
Space group: P 1 21/n 1
Cell volume: 1667.62
Cell parameters: 7.6227; 13.9464; 16.0161; 90; 101.644; 90;

COD ID: 2020446

Formula: - C14 H15 N3 O -
Comments: Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly Acta Crystallographica Section C 72(4) (2016) 346-357
Space group: P 1 21/c 1
Cell volume: 1171.01
Cell parameters: 17.0839; 4.235; 16.2258; 90; 94.047; 90;

COD ID: 2020447

Formula: - C18 H23 N3 O2 -
Comments: Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly Acta Crystallographica Section C 72(4) (2016) 346-357
Space group: P 1 21/c 1
Cell volume: 1719.56
Cell parameters: 11.4233; 7.3707; 20.4624; 90; 93.561; 90;

COD ID: 2020448

Formula: - C16 H20 N4 O -
Comments: Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly Acta Crystallographica Section C 72(4) (2016) 346-357
Space group: P b c a
Cell volume: 2917.6
Cell parameters: 18.886; 7.9898; 19.335; 90; 90; 90;

COD ID: 2020449

Formula: - C22 H24 N4 O -
Comments: Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly Acta Crystallographica Section C 72(4) (2016) 346-357
Space group: P 1 21/c 1
Cell volume: 1812.15
Cell parameters: 12.2994; 9.1501; 16.171; 90; 95.289; 90;

COD ID: 2020450

Formula: - C22 H22 N4 -
Comments: Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly Acta Crystallographica Section C 72(4) (2016) 346-357
Space group: P 1 21 1
Cell volume: 876.38
Cell parameters: 7.7594; 8.5383; 13.4525; 90; 100.483; 90;

COD ID: 2020451

Formula: - C23 H24 N4 -
Comments: Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly Acta Crystallographica Section C 72(4) (2016) 346-357
Space group: P c c n
Cell volume: 3686.8
Cell parameters: 15.083; 27.563; 8.8681; 90; 90; 90;

COD ID: 2020452

Formula: - C66 H48 Cu4 N12 O14 -
Comments: Liu, Ya-Hui; Lu, Li-Ping; Zhu, Miao-Li; Su, Feng A three-dimensional mixed-valence Cu^II^/Cu^I^ coordination polymer constructed from biphenyl-3,4',5-tricarboxylate and 1,4-bis(1H-imidazol-1-yl)benzene ligands Acta Crystallographica Section C 72(4) (2016) 358-362
Space group: P 1 21/c 1
Cell volume: 2819.1
Cell parameters: 11.898; 28.663; 8.343; 90; 97.77; 90;

COD ID: 2020464

Formula: - C40 H36 N2 O14 Zn2 -
Comments: Liang, Feng-Lan; Ma, De-Yun; Qin, Liang A hydrostable and twofold interpenetrating three-dimensional zinc‒organic framework with rob topology based on 4,4'-oxydibenzoate and 3,3'-dimethyl-4,4'-bipyridine ligands Acta Crystallographica Section C 72(5) (2016) 373-378
Space group: P c c a
Cell volume: 4248.5
Cell parameters: 16.864; 11.067; 22.764; 90; 90; 90;

COD ID: 2020465

Formula: - C5 H6 N2 O3 -
Comments: Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues Acta Crystallographica Section C 72(5) (2016) 379-388
Space group: P -1
Cell volume: 285.7
Cell parameters: 4.874; 7.663; 8.325; 66.97; 88.09; 87.07;

COD ID: 2020466

Formula: - C8 H11 N3 O5 -
Comments: Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues Acta Crystallographica Section C 72(5) (2016) 379-388
Space group: P 1 21/c 1
Cell volume: 1008.2
Cell parameters: 8.671; 12.394; 9.381; 90; 90.17; 90;

COD ID: 2020467

Formula: - C7 H10 N2 O5 S -
Comments: Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues Acta Crystallographica Section C 72(5) (2016) 379-388
Space group: P 1 21/n 1
Cell volume: 994.5
Cell parameters: 6.9341; 6.9015; 20.919; 90; 96.604; 90;

COD ID: 2020468

Formula: - C9 H13 N3 O5 -
Comments: Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues Acta Crystallographica Section C 72(5) (2016) 379-388
Space group: P 1 21/n 1
Cell volume: 1097.3
Cell parameters: 11.7707; 6.1053; 15.271; 90; 90.858; 90;

COD ID: 2020469

Formula: - C8 H11 N3 O4 S -
Comments: Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues Acta Crystallographica Section C 72(5) (2016) 379-388
Space group: P 1 21/c 1
Cell volume: 1126.7
Cell parameters: 10.1742; 11.4616; 9.9715; 90; 104.318; 90;

COD ID: 2020470

Formula: - C7 H10 N2 O4 S2 -
Comments: Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues Acta Crystallographica Section C 72(5) (2016) 379-388
Space group: P -1
Cell volume: 517.72
Cell parameters: 7.0475; 8.9534; 9.2802; 115.79; 95.753; 95.791;

COD ID: 2020471

Formula: - C11 H16 N2 O6 S -
Comments: Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues Acta Crystallographica Section C 72(5) (2016) 379-388
Space group: P -1
Cell volume: 692.51
Cell parameters: 5.2819; 10.3542; 13.0071; 89.377; 85.143; 77.7;

COD ID: 2020472

Formula: - C5 H4 N2 O3 S -
Comments: Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues Acta Crystallographica Section C 72(5) (2016) 379-388
Space group: P 1 21/c 1
Cell volume: 1296
Cell parameters: 11.409; 15.552; 7.369; 90; 97.599; 90;

COD ID: 2020473

Formula: - C22 H21 N O -
Comments: Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity Acta Crystallographica Section C 72(5) (2016) 363-372
Space group: P 1 21/c 1
Cell volume: 3222.7
Cell parameters: 24.8049; 10.7126; 12.1932; 90; 95.929; 90;

COD ID: 2020474

Formula: - C22 H21 N O -
Comments: Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity Acta Crystallographica Section C 72(5) (2016) 363-372
Space group: P 21 21 21
Cell volume: 1721.28
Cell parameters: 7.5541; 14.7914; 15.4049; 90; 90; 90;

COD ID: 2020475

Formula: - C22 H21 N O -
Comments: Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity Acta Crystallographica Section C 72(5) (2016) 363-372
Space group: P 1 21 1
Cell volume: 829.8
Cell parameters: 7.2201; 7.8128; 14.7409; 90; 93.69; 90;

COD ID: 2020476

Formula: - C18 H18 F N O -
Comments: Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity Acta Crystallographica Section C 72(5) (2016) 363-372
Space group: P b c a
Cell volume: 2938.2
Cell parameters: 7.5932; 7.5859; 51.01; 90; 90; 90;

COD ID: 2020477

Formula: - C15 H20 F N O -
Comments: Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity Acta Crystallographica Section C 72(5) (2016) 363-372
Space group: R -3 :H
Cell volume: 6164.4
Cell parameters: 25.119; 25.119; 11.2812; 90; 90; 120;

COD ID: 2020478

Formula: - C15 H20 F N O -
Comments: Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity Acta Crystallographica Section C 72(5) (2016) 363-372
Space group: R -3 :H
Cell volume: 23623.6
Cell parameters: 49.395; 49.395; 11.1802; 90; 90; 120;

COD ID: 2020479

Formula: - C36 H30 Cd N6 O7 -
Comments: Zhang, Zhi-Liang; Liu, Jia-Cheng A new one-dimensional cadmium(II) coordination polymer incorporating 4-[4-(1H-imidazol-1-yl)phenyl]pyridine and 5-hydroxybenzene-1,3-dicarboxylate ligands Acta Crystallographica Section C 72(5) (2016) 389-392
Space group: P -1
Cell volume: 1603.32
Cell parameters: 9.9863; 10.3722; 15.7502; 91.755; 99.029; 95.042;

COD ID: 2020480

Formula: - C16 H17 N3 O6 -
Comments: Badour, Alec R.; Wisniewski, John A.; Mohanty, Dillip K.; Squattrito, Philip J. Two N-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents Acta Crystallographica Section C 72(5) (2016) 405-410
Space group: P 1 21/c 1
Cell volume: 1563.6
Cell parameters: 13.0087; 7.2092; 17.0024; 90; 101.297; 90;

COD ID: 2020481

Formula: - C16 H16 N2 O6 S -
Comments: Badour, Alec R.; Wisniewski, John A.; Mohanty, Dillip K.; Squattrito, Philip J. Two N-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents Acta Crystallographica Section C 72(5) (2016) 405-410
Space group: C 1 2 1
Cell volume: 1690.3
Cell parameters: 21.26; 5.7264; 14.2762; 90; 103.456; 90;

COD ID: 2020482

Formula: - C19 H32 O5 -
Comments: Faroque, Muhammad Umer; Yousuf, Sammer; Zafar, Salman; Choudhary, M. Iqbal; Ahmed, Maqsood Transferred multipolar atom model for 10β,17β-dihydroxy-17α-methylestr-4-en-3-one dihydrate obtained from the biotransformation of methyloestrenolone Acta Crystallographica Section C 72(5) (2016) 398-404
Space group: P 21 21 21
Cell volume: 1862.2
Cell parameters: 6.9028; 11.0334; 24.451; 90; 90; 90;

COD ID: 2020483

Formula: - C29 H41 Cl N2 Ni O8 P2 -
Comments: García-Eleno, Marco A.; Quezada-Miriel, Magdalena; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David A comparative study of the packing of two polymorphs of the nickel(II) pincer complex [2,6-bis(di-tert-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^P,C^1^,P']chloridonickel(II) Acta Crystallographica Section C 72(5) (2016) 393-397
Space group: P b c a
Cell volume: 6691.7
Cell parameters: 11.7012; 16.2076; 35.285; 90; 90; 90;

COD ID: 2020484

Formula: - C29 H41 Cl N2 Ni O8 P2 -
Comments: García-Eleno, Marco A.; Quezada-Miriel, Magdalena; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David A comparative study of the packing of two polymorphs of the nickel(II) pincer complex [2,6-bis(di-tert-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^P,C^1^,P']chloridonickel(II) Acta Crystallographica Section C 72(5) (2016) 393-397
Space group: C 1 c 1
Cell volume: 3469.9
Cell parameters: 10.9248; 21.5339; 15.071; 90; 101.851; 90;

COD ID: 2020485

Formula: - C10 H9 N O S2 -
Comments: Balti, Monaem; Norberg, Bernadette; Efrit, Mohamed Lotfi; Lanners, Steve; Wouters, Johan Conformation and tautomerism of methoxy-substituted 4-phenyl-4-thiazoline-2-thiones: a combined crystallographic and ab initio investigation Acta Crystallographica Section C 72(5) (2016) 421-425
Space group: P 1 21/n 1
Cell volume: 1071.35
Cell parameters: 8.4228; 7.9082; 16.2102; 90; 97.152; 90;

COD ID: 2020486

Formula: - C10 H9 N O S2 -
Comments: Balti, Monaem; Norberg, Bernadette; Efrit, Mohamed Lotfi; Lanners, Steve; Wouters, Johan Conformation and tautomerism of methoxy-substituted 4-phenyl-4-thiazoline-2-thiones: a combined crystallographic and ab initio investigation Acta Crystallographica Section C 72(5) (2016) 421-425
Space group: P 1 21/n 1
Cell volume: 1014.94
Cell parameters: 4.7187; 12.0438; 17.8972; 90; 93.752; 90;

COD ID: 2020487

Formula: - C83 H109 O5 P3 S6 Si6 V2 -
Comments: Wu, Hong-Ming; Chang, Ya-Ho; Su, Chia-Lin; Lee, Gene-Hsiang; Hsu, Hua-Fen A non-oxo methanolate-bridged divanadium(IV) complex with tris(2-sulfanidylphenyl)phosphane ligands: synthesis, structural characterization and magnetic investigation Acta Crystallographica Section C 72(5) (2016) 416-420
Space group: C 1 2/c 1
Cell volume: 8970.7
Cell parameters: 18.474; 25.4633; 19.3663; 90; 100.036; 90;

COD ID: 2020488

Formula: - C28 H40 Br2 Cd3 Cl4 N4 O4 -
Comments: Yahsi, Yasemin; Ozbek, Hatice; Aygun, Muhittin; Kara, Hulya Crystal structure and photoluminescence properties of a new Cd^II^ coordination polymer catena-poly[bis[4-bromo-2-({[2-(pyrrolidin-1-yl)ethyl]imino}methyl)phenolato-κ^3^N,N',O]di-μ~3~-chlorido-di-μ~2~-chlorido-bis(methanol-κO)tricadmium(II)] Acta Crystallographica Section C 72(5) (2016) 426-431
Space group: P -1
Cell volume: 933.59
Cell parameters: 8.1048; 10.3928; 11.574; 100.957; 96.178; 99.694;

COD ID: 2020489

Formula: - C5 H27 Al N2 O18 S2 -
Comments: Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium Acta Crystallographica Section C 72(5) (2016) 432-441
Space group: P -1
Cell volume: 984.5
Cell parameters: 6.667; 12.16; 12.911; 72.3; 81.03; 85.57;

COD ID: 2020490
CIF file HKL data	Formula: - C10 H54 Co3 N4 O36 S4 - Comments: Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium Acta Crystallographica Section C 72(5) (2016) 432-441 Space group: P -1 Cell volume: 1018.8 Cell parameters: 6.64; 11.71; 14.294; 67.97; 81.57; 85.39;

COD ID: 2020491
CIF file HKL data	Formula: - C10 H54 Mg3 N4 O36 S4 - Comments: Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium Acta Crystallographica Section C 72(5) (2016) 432-441 Space group: P -1 Cell volume: 1037.5 Cell parameters: 6.682; 11.807; 14.309; 68.23; 82.13; 84.76;

COD ID: 2020492
CIF file HKL data	Formula: - C10 H26 N4 Ni O14 S2 - Comments: Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium Acta Crystallographica Section C 72(5) (2016) 432-441 Space group: P -1 Cell volume: 533.2 Cell parameters: 6.97; 7.913; 11.391; 72.31; 89.57; 64.2;

COD ID: 2020493
CIF file HKL data	Formula: - C10 H26 N4 O14 S2 Zn - Comments: Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium Acta Crystallographica Section C 72(5) (2016) 432-441 Space group: P -1 Cell volume: 538.2 Cell parameters: 6.977; 7.929; 11.441; 72.25; 89.53; 64.45;

COD ID: 2020494

Formula: - C70 H46 Co2 N6 O10 -
Comments: Liu, Runqiang; Zhao, Ning; Liu, Ping; An, Caixia; Lian, Zhaoxun Enhanced third-order nonlinear optical properties determined in thin films using the Z-scan technique: bis(μ-4,4'-oxydibenzoato)bis[(4'-phenyl-2,2':6',2''-terpyridine)cobalt(II)] Acta Crystallographica Section C 72(5) (2016) 451-455
Space group: P -1
Cell volume: 1425
Cell parameters: 9.71; 10.891; 15.546; 77.129; 74.474; 65.034;

COD ID: 2020495

Formula: - C48 H22 F18 P2 Pt S2 -
Comments: Bernès, Sylvain; Meléndez, Francisco J.; Torrens, Hugo Cis‒trans isomerism in a square-planar platinum(II) complex bearing bulky fluorinated phosphane ligands Acta Crystallographica Section C 72(4) (2016) 268-273
Space group: P -1
Cell volume: 1147.61
Cell parameters: 10.3553; 10.5983; 12.4594; 114.574; 104.4; 99.442;

COD ID: 2020496

Formula: - C48 H22 F18 P2 Pt S2 -
Comments: Bernès, Sylvain; Meléndez, Francisco J.; Torrens, Hugo Cis‒trans isomerism in a square-planar platinum(II) complex bearing bulky fluorinated phosphane ligands Acta Crystallographica Section C 72(4) (2016) 268-273
Space group: P b c a
Cell volume: 8974.8
Cell parameters: 20.348; 19.511; 22.6059; 90; 90; 90;

COD ID: 2020497

Formula: - C22 H30 N2 O11 Zn2 -
Comments: Liu, Yang; Feng, Yong-Lan; Fu, Wei-Wei A two-dimensional zinc(II) coordination polymer based on mixed dimethyl succinate and bipyridine ligands: synthesis, structure, thermostability and luminescence properties Acta Crystallographica Section C 72(4) (2016) 308-312
Space group: P -1
Cell volume: 1233.2
Cell parameters: 9.2372; 9.7244; 14.511; 79.099; 83.298; 75.012;

COD ID: 2020498

Formula: - C17 H20 N4 O5 -
Comments: Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A. Carboxylate‒phenolate tautomerism in 5-[(nitrophenyl)diazenyl]salicylate anions Acta Crystallographica Section C 72(4) (2016) 274-279
Space group: C 1 2/c 1
Cell volume: 3586.4
Cell parameters: 36.5539; 6.0781; 16.5167; 90; 102.228; 90;

COD ID: 2020499

Formula: - C17 H20 N4 O5 -
Comments: Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A. Carboxylate‒phenolate tautomerism in 5-[(nitrophenyl)diazenyl]salicylate anions Acta Crystallographica Section C 72(4) (2016) 274-279
Space group: P 1 21/c 1
Cell volume: 1769.27
Cell parameters: 13.4305; 6.782; 19.4498; 90; 92.935; 90;

COD ID: 2020501

Formula: - C17 H29 I2 N5 -
Comments: Cebollada, Andrea; Vellé, Alba; Sanz Miguel, Pablo J. Hirshfeld and DFT analysis of the N-heterocyclic carbene proligand methylenebis(N-butylimidazolium) as the acetonitrile-solvated diiodide salt Acta Crystallographica Section C Structural Chemistry 72(6) (2016)
Space group: P -1
Cell volume: 1130.99
Cell parameters: 5.2513; 13.9534; 16.0336; 101.766; 93.23; 99.0746;

COD ID: 2020502
CIF file HKL data	Formula: - C10 H16 N5 O8 P - Comments: Ślepokura, Katarzyna Anna Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP Acta Crystallographica Section C 72(6) (2016) Space group: P 21 21 21 Cell volume: 2901.1 Cell parameters: 7.715; 10.598; 35.481; 90; 90; 90;

COD ID: 2020503
CIF file HKL data	Formula: - C10 H12.6 N5 O6.3 P - Comments: Ślepokura, Katarzyna Anna Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP Acta Crystallographica Section C 72(6) (2016) Space group: P 21 21 21 Cell volume: 2475.5 Cell parameters: 7.786; 10.638; 29.887; 90; 90; 90;

COD ID: 2020504
CIF file HKL data	Formula: - C10 H22 N5 O12 P - Comments: Ślepokura, Katarzyna Anna Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP Acta Crystallographica Section C 72(6) (2016) Space group: P 21 21 21 Cell volume: 1801.5 Cell parameters: 6.691; 13.555; 19.863; 90; 90; 90;

COD ID: 2020505
CIF file HKL data	Formula: - C10 H19 N5 Na O11 P - Comments: Ślepokura, Katarzyna Anna Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP Acta Crystallographica Section C 72(6) (2016) Space group: P 21 21 21 Cell volume: 1712.1 Cell parameters: 7.206; 12.669; 18.754; 90; 90; 90;

COD ID: 2020506
CIF file HKL data	Formula: - C10 H18 N4 Na O11 P - Comments: Ślepokura, Katarzyna Anna Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP Acta Crystallographica Section C 72(6) (2016) Space group: P 21 21 21 Cell volume: 1685.7 Cell parameters: 6.652; 14.726; 17.208; 90; 90; 90;

COD ID: 2020507

Formula: - C6 H9 N3 O -
Comments: Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A. Two tautomeric forms of 2-amino-5,6-dimethylpyrimidin-4-one Acta Crystallographica Section C 72(6) (2016)
Space group: P -1
Cell volume: 314.6
Cell parameters: 6.613; 7.018; 7.078; 97.374; 104.521; 92.038;

COD ID: 2020508

Formula: - C6 H9 N3 O -
Comments: Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A. Two tautomeric forms of 2-amino-5,6-dimethylpyrimidin-4-one Acta Crystallographica Section C 72(6) (2016)
Space group: P 1 21/c 1
Cell volume: 2633.5
Cell parameters: 7.188; 28.047; 13.3265; 90; 101.414; 90;

COD ID: 2020514

Formula: - C22 H21 Cd N5 O5 -
Comments: Huang, Qiu-Ying; Lin, Xiao-Yi; Meng, Xiang-Ru A new one-dimensional Cd^II^ coordination polymer with a two-dimensional layered structure incorporating 2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole and benzene-1,2-dicarboxylate ligands Acta Crystallographica Section C 72(6) (2016)
Space group: P -1
Cell volume: 1177.8
Cell parameters: 8.5502; 9.2713; 15.363; 88.48; 83.73; 76.65;

COD ID: 2020515
CIF file Original IUCr paper	Formula: - C30 H52 O4 - Comments: Xu, Yang-Rong; Yang, Jing-Jing; Liu, Juan; Hou, Gui-Ge; Meng, Qing-Guo Synthesis and crystal structures of C24-epimeric 20(<i>R</i>)-ocotillol-type saponins Acta Crystallographica Section C 72(6) (2016) Space group: C 1 2 1 Cell volume: 2747.8 Cell parameters: 23.908; 7.4853; 15.363; 90; 91.89; 90;

COD ID: 2020516
CIF file Original IUCr paper	Formula: - C30 H54 O5 - Comments: Xu, Yang-Rong; Yang, Jing-Jing; Liu, Juan; Hou, Gui-Ge; Meng, Qing-Guo Synthesis and crystal structures of C24-epimeric 20(<i>R</i>)-ocotillol-type saponins Acta Crystallographica Section C 72(6) (2016) Space group: P 1 21 1 Cell volume: 2886.7 Cell parameters: 6.8503; 29.1839; 14.8014; 90; 102.7; 90;

COD ID: 2020517

Formula: - C60 H72 Cl6 Co N12 O4 -
Comments: Zhang, Yao; Li, Jie; Ren, Guoyu; Qin, Baofu; Ma, Haixia Synthesis, crystal structure and antifungal activity of a divalent cobalt(II) complex with uniconazole Acta Crystallographica Section C 72(6) (2016)
Space group: P -1
Cell volume: 1683.2
Cell parameters: 8.909; 13.332; 14.92; 93.598; 99.037; 104.678;

COD ID: 2020518

Formula: - C26 H32 Cl2 N6 O2 Zn -
Comments: DeStefano, Matthew R.; Geiger, David K. Structural and spectroscopic characterization of two new blue luminescent pyridylbenzimidazole zinc(II) complexes Acta Crystallographica Section C 72(6) (2016)
Space group: P -1
Cell volume: 1407.9
Cell parameters: 11.2504; 11.7298; 12.6588; 71.518; 71.087; 65.76;

COD ID: 2020519

Formula: - C26 H30 N4 O5 Zn -
Comments: DeStefano, Matthew R.; Geiger, David K. Structural and spectroscopic characterization of two new blue luminescent pyridylbenzimidazole zinc(II) complexes Acta Crystallographica Section C 72(6) (2016)
Space group: P 1 21/n 1
Cell volume: 2620.9
Cell parameters: 16.0866; 8.715; 18.745; 90; 94.193; 90;

COD ID: 2020521

Formula: - C38 H33 B N O P2 Rh -
Comments: Galding, M. R.; Virovets, A. V.; Kazakov, I. V.; Scheer, M.; Smirnov, S. N.; Timoshkin, A. Y. Diminished electron density in the Vaska-type rhodium(I) complex trans-[Rh(NCBH~3~)(CO)(PPh~3~)~2~] Acta Crystallographica Section C 72(7) (2016) 514-517
Space group: P 1 21/c 1
Cell volume: 3272.28
Cell parameters: 13.9227; 12.35; 19.7966; 90; 105.987; 90;

COD ID: 2020522

Formula: - C11 H13 N O -
Comments: Donkeng Dazie, Joel; Liška, Alan; Ludvík, Jiří; Fábry, Jan; Dušek, Michal A study of the planarity of the pyrrolone fragment in 2-isopropyl-2,3-dihydro-1H-isoindol-1-one Acta Crystallographica Section C 72(7) (2016) 518-524
Space group: P 1 21 1
Cell volume: 469.51
Cell parameters: 6.2155; 8.7681; 8.9686; 90; 106.14; 90;

COD ID: 2020525

Formula: - C18 H23 Cl2 Cu1.5 N6 O4 -
Comments: Bergamini, F. R. G.; Ribeiro, M. A.; Miranda, P. C. M. L.; Formiga, A. L. B.; Corbi, P. P. A novel binuclear copper complex incorporating a nalidixic acid derivative displaying a one-dimensional coordination polymeric structure Acta Crystallographica Section C 72(7) (2016) 544-548
Space group: C 1 2/c 1
Cell volume: 4402.5
Cell parameters: 18.5958; 16.6608; 14.2394; 90; 93.692; 90;

COD ID: 2020526

Formula: - C18 H16 N5 O5.5 Zn -
Comments: Jian, Shou-Jun; Han, Qian-Qian; Yang, Huai-Xia; Meng, Xiang-Ru A new three-dimensional zinc(II) coordination polymer involving 2-[(1H-1,2,4-triazol-1-yl)methyl]-1H-benzimidazole and benzene-1,4-dicarboxylate ligands Acta Crystallographica Section C 72(7) (2016) 530-535
Space group: C 1 2/c 1
Cell volume: 3867.3
Cell parameters: 21.612; 10.421; 19.246; 90; 116.85; 90;

COD ID: 2020527

Formula: - C28 H20 N4 O4 Pb2 -
Comments: Schwade, Vânia Denise; Faoro, Eliandro; Schulz Lang, Ernesto Intermolecular Pb···N interactions in lead(II) dimers producing a supramolecular two-dimensional metal‒organic compound: bis[μ~2~-N'-(2-oxidobenzylidene)benzohydrazidato-κ^4^O:O,N',O']dilead(II) Acta Crystallographica Section C 72(7) (2016) 525-529
Space group: P -1
Cell volume: 1287.99
Cell parameters: 8.3754; 12.6354; 13.6686; 112.213; 101.395; 95.781;

COD ID: 2020528

Formula: - C9 H20 N2 O4 S4 -
Comments: Görbitz, Carl Henrik; Wragg, David S.; Bakke, Ingrid Marie Bergh; Fleischer, Christian; Grønnevik, Gaute; Mykland, Maria; Park, Yoomin; Trovik, Kristian Wiedicke; Serigstad, Halvard; Sundsli, Bård Edgar Vestheim A phase transition from monoclinic C2 with Z' = 1 to triclinic P1 with Z' = 4 for the quasiracemate L-2-aminobutyric acid‒D-methionine (1/1) Acta Crystallographica Section C 72(7) (2016) 536-543
Space group: P 1
Cell volume: 1294.4
Cell parameters: 9.489; 9.8774; 15.079; 71.429; 75.65; 89.369;

COD ID: 2020529

Formula: - C9 H20 N2 O4 S -
Comments: Görbitz, Carl Henrik; Wragg, David S.; Bakke, Ingrid Marie Bergh; Fleischer, Christian; Grønnevik, Gaute; Mykland, Maria; Park, Yoomin; Trovik, Kristian Wiedicke; Serigstad, Halvard; Sundsli, Bård Edgar Vestheim A phase transition from monoclinic C2 with Z' = 1 to triclinic P1 with Z' = 4 for the quasiracemate L-2-aminobutyric acid‒D-methionine (1/1) Acta Crystallographica Section C 72(7) (2016) 536-543
Space group: C 1 2 1
Cell volume: 1337.77
Cell parameters: 29.1721; 4.7784; 9.8551; 90; 103.145; 90;

COD ID: 2020530

Formula: - C17 H16 N2 O4 S -
Comments: Ukrainets, Igor V.; Shishkina, Svitlana V.; Baumer, Vyacheslav N.; Gorokhova, Olga V.; Petrushova, Lidiya A.; Sim, Galina Two pseudo-enantiomeric forms of N-benzyl-4-hydroxy-1-methyl-2,2-dioxo-1H-2λ^6^,1-benzothiazine-3-carboxamide and their analgesic properties Acta Crystallographica Section C 72(5) (2016) 411-415
Space group: P 21 21 21
Cell volume: 1596.63
Cell parameters: 5.4764; 15.9117; 18.3228; 90; 90; 90;

COD ID: 2020531

Formula: - C17 H16 N2 O4 S -
Comments: Ukrainets, Igor V.; Shishkina, Svitlana V.; Baumer, Vyacheslav N.; Gorokhova, Olga V.; Petrushova, Lidiya A.; Sim, Galina Two pseudo-enantiomeric forms of N-benzyl-4-hydroxy-1-methyl-2,2-dioxo-1H-2λ^6^,1-benzothiazine-3-carboxamide and their analgesic properties Acta Crystallographica Section C 72(5) (2016) 411-415
Space group: P 21 21 21
Cell volume: 1574.38
Cell parameters: 5.4469; 15.8455; 18.2412; 90; 90; 90;

COD ID: 2020532

Formula: - C11 H16 Cl Co N3 O6 S -
Comments: Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc Supramolecular architectures in Co^II^ and Cu^II^ complexes with thiophene-2-carboxylate and 2-amino-4,6-dimethoxypyrimidine ligands Acta Crystallographica Section C 72(5) (2016) 442-450
Space group: P -1
Cell volume: 819.37
Cell parameters: 7.2407; 7.9326; 15.055; 92.932; 102.406; 102.727;

COD ID: 2020533

Formula: - C26 H21 Cu2 N3 O10 S4 -
Comments: Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc Supramolecular architectures in Co^II^ and Cu^II^ complexes with thiophene-2-carboxylate and 2-amino-4,6-dimethoxypyrimidine ligands Acta Crystallographica Section C 72(5) (2016) 442-450
Space group: C 1 2/c 1
Cell volume: 3057.19
Cell parameters: 18.5881; 10.1091; 17.5284; 90; 111.847; 90;

COD ID: 2020534

Formula: - C7 H5 N O4 -
Comments: Ibragimov, Aziz; Ashurov, Jamshid; Ibragimov, Bakhtiyar; Wang, Ai; Mouhib, Halima; Englert, Ulli Conformational dimorphism in o-nitrobenzoic acid: alternative ways to avoid the O···O clash Acta Crystallographica Section C 72(7) (2016) 566-571
Space group: P 1 21/c 1
Cell volume: 720.04
Cell parameters: 3.9356; 7.2005; 25.41; 90; 90.578; 90;

COD ID: 2020535
CIF file HKL data	Formula: - B Ge2 Li4 - Comments: Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Dmytriv, Grygoriy; Ehrenberg, Helmut Li~4~Ge~2~B as a new derivative of the Mo~2~B~5~ and Li~5~Sn~2~ structure types Acta Crystallographica Section C 72(7) (2016) 561-565 Space group: R 3 m :H Cell volume: 315.63 Cell parameters: 4.4603; 4.4603; 18.3197; 90; 90; 120;

COD ID: 2020536

Formula: - C17 H18 N2 O -
Comments: Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Diastereoisomeric forms of 11-ethyl-6,11-dihydro-5H-dibenzo[b,e]azepine-6-carboxamide: syntheses and the molecular and supramolecular structure of the minor form (6RS,11RS)-11-ethyl-6,11-dihydro-5H-dibenzo[b,e]azepine-6-carboxamide Acta Crystallographica Section C 72(7) (2016) 549-554
Space group: P -1
Cell volume: 686.61
Cell parameters: 5.6051; 8.6411; 14.3853; 86.192; 81.237; 87.313;

COD ID: 2020538

Formula: - C29 H20 Ag2 N5 O4 S4 -
Comments: Dennehy, Mariana; Delgado, Fermín; Freire, Eleonora; Halac, Emilia; Baggio, Ricardo A polymeric silver thiosaccarinate complex with a two-dimensional triply entangled mesh and argentophilic interactions Acta Crystallographica Section C 72(7) (2016) 572-577
Space group: P 1 21/n 1
Cell volume: 3008.52
Cell parameters: 15.3542; 7.9565; 24.8986; 90; 98.477; 90;

COD ID: 2020539

Formula: - C92 H86 Eu2 O16 -
Comments: Minyaev, Mikhail E.; Vinogradov, Alexandr A.; Roitershtein, Dmitrii M.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Nifant'ev, Ilya E. Di- and triphenylacetate complexes of yttrium and europium Acta Crystallographica Section C 72(7) (2016) 578-584
Space group: P 1 21/c 1
Cell volume: 3871.5
Cell parameters: 12.0922; 13.9102; 23.1235; 90; 95.51; 90;

COD ID: 2020540

Formula: - C92 H86 O16 Y2 -
Comments: Minyaev, Mikhail E.; Vinogradov, Alexandr A.; Roitershtein, Dmitrii M.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Nifant'ev, Ilya E. Di- and triphenylacetate complexes of yttrium and europium Acta Crystallographica Section C 72(7) (2016) 578-584
Space group: P 1 21/c 1
Cell volume: 3897.3
Cell parameters: 11.4292; 21.371; 16.335; 90; 102.37; 90;

COD ID: 2020541

Formula: - C66 H69 Eu O12 -
Comments: Minyaev, Mikhail E.; Vinogradov, Alexandr A.; Roitershtein, Dmitrii M.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Nifant'ev, Ilya E. Di- and triphenylacetate complexes of yttrium and europium Acta Crystallographica Section C 72(7) (2016) 578-584
Space group: P -1
Cell volume: 2813.9
Cell parameters: 13.3716; 13.5971; 17.7021; 93.0794; 92.9949; 118.475;

COD ID: 2020542
CIF file Original IUCr paper	Formula: - C20 H20 Br2 Cu2 N2 O4 - Comments: Yahsi, Yasemin X-ray characterization and magnetic properties of dioxygen-bridged Cu^II^ and Mn^III^ Schiff base complexes Acta Crystallographica Section C 72(7) (2016) 585-592 Space group: P 1 21/n 1 Cell volume: 2095.29 Cell parameters: 9.0043; 10.2212; 22.7814; 90; 92.085; 90;

COD ID: 2020543
CIF file HKL data	Formula: - C76 H88 Cl12 Mn4 N8 O32 - Comments: Yahsi, Yasemin X-ray characterization and magnetic properties of dioxygen-bridged Cu^II^ and Mn^III^ Schiff base complexes Acta Crystallographica Section C 72(7) (2016) 585-592 Space group: P 1 21/n 1 Cell volume: 4660.8 Cell parameters: 14.126; 19.394; 17.02; 90; 91.66; 90;

COD ID: 2020544

Formula: - C9 H6 F2 O2 -
Comments: Galica, Tomasz; Bakowicz, Julia; Broda, Piotr; Turowska-Tyrk, Ilona Monitoring photo-induced transformations in crystals of 2,6-difluorocinnamic acid under ambient conditions Acta Crystallographica Section C 72(7) (2016) 593-599
Space group: P 1 21/c 1
Cell volume: 822.9
Cell parameters: 3.8856; 19.292; 10.9859; 90; 92.221; 90;

COD ID: 2020545

Formula: - C9 H6 F2 O2 -
Comments: Galica, Tomasz; Bakowicz, Julia; Broda, Piotr; Turowska-Tyrk, Ilona Monitoring photo-induced transformations in crystals of 2,6-difluorocinnamic acid under ambient conditions Acta Crystallographica Section C 72(7) (2016) 593-599
Space group: P 1 21/c 1
Cell volume: 830.7
Cell parameters: 3.886; 19.185; 11.1567; 90; 92.873; 90;

COD ID: 2020546

Formula: - C21.5 H16 F4 O4 -
Comments: Galica, Tomasz; Bakowicz, Julia; Broda, Piotr; Turowska-Tyrk, Ilona Monitoring photo-induced transformations in crystals of 2,6-difluorocinnamic acid under ambient conditions Acta Crystallographica Section C 72(7) (2016) 593-599
Space group: P -1
Cell volume: 933.94
Cell parameters: 7.6212; 10.3137; 13.1849; 112.145; 96.843; 97.96;

COD ID: 2020547

Formula: - C42 H44 Cu2 N10 Ni O6 S2 -
Comments: Hopa, Cigdem; Cokay, Ismail Designing a heterotrinuclear CuII—NiII—CuIIcomplex from a mononuclear CuIISchiff base precursor with dicyanamide as a coligand: synthesis, crystal structure, thermal and photoluminescence properties Acta Crystallographica Section C Structural Chemistry 72(8) (2016)
Space group: P 1 21/c 1
Cell volume: 4373
Cell parameters: 19.196; 10.2943; 22.347; 90; 97.998; 90;

COD ID: 2020549

Formula: - C19 H23 N O4 -
Comments: Turgunov, Kambarali K.; Zhurakulov, Sherzod N.; Englert, Ulli; Vinogradova, Valentina I.; Tashkhodjaev, Bakhodir Synthesis of 2-(2-hydroxyethyl)-1-(2-hydroxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline and pseudosymmetry in its crystal structure Acta Crystallographica Section C 72(8) (2016)
Space group: P -1
Cell volume: 827.9
Cell parameters: 7.432; 9.962; 11.373; 85.63; 85.34; 81.32;

COD ID: 2020550

Formula: - C19 H23 N O4 -
Comments: Turgunov, Kambarali K.; Zhurakulov, Sherzod N.; Englert, Ulli; Vinogradova, Valentina I.; Tashkhodjaev, Bakhodir Synthesis of 2-(2-hydroxyethyl)-1-(2-hydroxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline and pseudosymmetry in its crystal structure Acta Crystallographica Section C 72(8) (2016)
Space group: P -1
Cell volume: 1654.5
Cell parameters: 7.429; 14.535; 15.675; 97.575; 98.902; 92.28;

COD ID: 2020551

Formula: - C15 H10 F N5 O7 -
Comments: Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Glidewell, Christopher Different acid‒base behaviour of a pyrazole and an isoxazole with organic acids: crystal and molecular structures of the salt 3-(4-fluorophenyl)-1H-pyrazolium 2,4,6-trinitrophenolate and of the cocrystal 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide‒3,5-dinitrobenzoic acid (1/1) Acta Crystallographica Section C 72(8) (2016)
Space group: P 1 21/c 1
Cell volume: 1594.81
Cell parameters: 11.8062; 8.0061; 17.6442; 90; 107.009; 90;

COD ID: 2020552

Formula: - C18 H17 N5 O9 S -
Comments: Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Glidewell, Christopher Different acid‒base behaviour of a pyrazole and an isoxazole with organic acids: crystal and molecular structures of the salt 3-(4-fluorophenyl)-1H-pyrazolium 2,4,6-trinitrophenolate and of the cocrystal 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide‒3,5-dinitrobenzoic acid (1/1) Acta Crystallographica Section C 72(8) (2016)
Space group: P -1
Cell volume: 1016.79
Cell parameters: 7.8189; 8.6727; 15.9304; 96.439; 94.458; 107.477;

COD ID: 2020553

Formula: - C23 H21 N O3 -
Comments: Luque, Adriana L.; Sanabria, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Unexpected ring-closure products derived from 3-(2-allylanilino)-3-phenylacrylate esters: crystal and molecular structures of 3-acetyl-8-allyl-6-methyl-2-phenylquinolin-4-yl acetate and (2RS)-2,8-dimethyl-4-phenyl-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one Acta Crystallographica Section C 72(8) (2016)
Space group: P 1 21/c 1
Cell volume: 1851
Cell parameters: 9.0386; 8.2036; 25.119; 90; 96.385; 90;

COD ID: 2020554

Formula: - C19 H17 N O -
Comments: Luque, Adriana L.; Sanabria, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Unexpected ring-closure products derived from 3-(2-allylanilino)-3-phenylacrylate esters: crystal and molecular structures of 3-acetyl-8-allyl-6-methyl-2-phenylquinolin-4-yl acetate and (2RS)-2,8-dimethyl-4-phenyl-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one Acta Crystallographica Section C 72(8) (2016)
Space group: C 1 2/c 1
Cell volume: 2799.8
Cell parameters: 17.756; 10.364; 15.232; 90; 92.774; 90;

COD ID: 2020555

Formula: - O41 Sr7 Te12 V4 -
Comments: Kim, Sun Woo; Emge, Thomas J.; Greenblatt, Martha A new one-dimensional strontium vanadium tellurite, Sr~7~V~4~Te~12~O~41~ Acta Crystallographica Section C 72(8) (2016)
Space group: P -1
Cell volume: 1002.69
Cell parameters: 7.1772; 9.9314; 14.4116; 96.7621; 91.9467; 100.112;

COD ID: 2020556

Formula: - C19 H33 N11 O3 S -
Comments: Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael 6-Propyl-2-thiouracil versus 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom Acta Crystallographica Section C 72(8) (2016)
Space group: P -1
Cell volume: 1205.4
Cell parameters: 7.9688; 11.2412; 14.6144; 109.442; 92.075; 100.877;

COD ID: 2020557

Formula: - C9 H15 N3 O3 S -
Comments: Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael 6-Propyl-2-thiouracil versus 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom Acta Crystallographica Section C 72(8) (2016)
Space group: P -1
Cell volume: 601.7
Cell parameters: 7.2516; 8.9841; 10.736; 109.275; 109.132; 97.283;

COD ID: 2020558

Formula: - C10 H17 N3 O3 S -
Comments: Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael 6-Propyl-2-thiouracil versus 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom Acta Crystallographica Section C 72(8) (2016)
Space group: P -1
Cell volume: 640.9
Cell parameters: 8.209; 9.1804; 9.5617; 65.128; 83.198; 78.854;

COD ID: 2020559

Formula: - C8 H14 N2 O3 S2 -
Comments: Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael 6-Propyl-2-thiouracil versus 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom Acta Crystallographica Section C 72(8) (2016)
Space group: P 1 21/c 1
Cell volume: 1200.46
Cell parameters: 8.1891; 17.7131; 8.3032; 90; 94.643; 90;

COD ID: 2020560

Formula: - C11 H17 N3 O3 S -
Comments: Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael 6-Propyl-2-thiouracil versus 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom Acta Crystallographica Section C 72(8) (2016)
Space group: P -1
Cell volume: 647.3
Cell parameters: 6.7673; 9.9189; 10.4097; 82.868; 74.093; 74.741;

COD ID: 2020561

Formula: - C10 H14 N6 O2 S -
Comments: Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael 6-Propyl-2-thiouracil versus 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom Acta Crystallographica Section C 72(8) (2016)
Space group: P 1 21/c 1
Cell volume: 1277.6
Cell parameters: 4.6843; 13.9818; 19.5128; 90; 91.45; 90;

COD ID: 2020562

Formula: - C16 H23 N9 O4 S2 -
Comments: Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael 6-Propyl-2-thiouracil versus 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom Acta Crystallographica Section C 72(8) (2016)
Space group: P 2 2 21
Cell volume: 1034.64
Cell parameters: 6.8086; 8.1414; 18.6651; 90; 90; 90;

COD ID: 2020563

Formula: - C20 H12 Cu3 N6 O9 -
Comments: Zhang, Li-Yang; Lu, Li-Ping; Feng, Si-Si A two-dimensional mixed-valence Cu^II^/Cu^I^ coordination polymer constructed from 2-(pyridin-3-yl)-1H-imidazole-4,5-dicarboxylate Acta Crystallographica Section C 72(8) (2016)
Space group: P b c a
Cell volume: 4144.1
Cell parameters: 23.095; 6.843; 26.222; 90; 90; 90;

COD ID: 2020564

Formula: - C26 H30 N4 O8 Zn2 -
Comments: Liu, Yang; Feng, Yong-Lan; Fu, Wei-Wei Synthesis, structure, thermostability and luminescence properties of ZnIIand CdIIcoordination polymers based on dimethysuccinate and flexible 1,4-bis(imidazol-1-ylmethyl)benzene ligands Acta Crystallographica Section C Structural Chemistry 72(9) (2016)
Space group: C 1 2/c 1
Cell volume: 2652
Cell parameters: 10.059; 20.839; 13.198; 90; 106.567; 90;

COD ID: 2020565

Formula: - C26 H30 Cd2 N4 O8 -
Comments: Liu, Yang; Feng, Yong-Lan; Fu, Wei-Wei Synthesis, structure, thermostability and luminescence properties of ZnIIand CdIIcoordination polymers based on dimethysuccinate and flexible 1,4-bis(imidazol-1-ylmethyl)benzene ligands Acta Crystallographica Section C Structural Chemistry 72(9) (2016)
Space group: C 1 2/c 1
Cell volume: 2719.6
Cell parameters: 10.575; 20.477; 13.938; 90; 115.703; 90;

COD ID: 2020566

Formula: - C17 H14 Cl N3 -
Comments: Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1H-pyrazolo[3,4-b]quinoline and two 1H-pyrazolo[3,4-b]quinolines Acta Crystallographica Section C 72(9) (2016)
Space group: P b c a
Cell volume: 3010
Cell parameters: 14.73; 12.413; 16.464; 90; 90; 90;

COD ID: 2020567

Formula: - C17 H15 N3 -
Comments: Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1H-pyrazolo[3,4-b]quinoline and two 1H-pyrazolo[3,4-b]quinolines Acta Crystallographica Section C 72(9) (2016)
Space group: P 1 21/n 1
Cell volume: 1356.7
Cell parameters: 6.6676; 26.571; 7.912; 90; 104.561; 90;

COD ID: 2020568

Formula: - C16 H11 N3 -
Comments: Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1H-pyrazolo[3,4-b]quinoline and two 1H-pyrazolo[3,4-b]quinolines Acta Crystallographica Section C 72(9) (2016)
Space group: P b c n
Cell volume: 7171.4
Cell parameters: 25.145; 16.9623; 16.8138; 90; 90; 90;

COD ID: 2020569

Formula: - C17 H13 N3 -
Comments: Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1H-pyrazolo[3,4-b]quinoline and two 1H-pyrazolo[3,4-b]quinolines Acta Crystallographica Section C 72(9) (2016)
Space group: R -3 :H
Cell volume: 5722.4
Cell parameters: 29.9202; 29.9202; 7.3811; 90; 90; 120;

COD ID: 2020570

Formula: - C19 H18 Cl N3 O2 -
Comments: Narayana, Badiadka; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher Different molecular conformations co-exist in each of three 2-aryl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamides: hydrogen bonding in zero, one and two dimensions Acta Crystallographica Section C 72(9) (2016)
Space group: P -1
Cell volume: 1754.78
Cell parameters: 10.1018; 10.6099; 18.8129; 100.292; 91.881; 116.873;

COD ID: 2020571

Formula: - C19 H18 Cl N3 O2 -
Comments: Narayana, Badiadka; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher Different molecular conformations co-exist in each of three 2-aryl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamides: hydrogen bonding in zero, one and two dimensions Acta Crystallographica Section C 72(9) (2016)
Space group: C 1 2/c 1
Cell volume: 3538.9
Cell parameters: 23.023; 8.2976; 21.602; 90; 120.957; 90;

COD ID: 2020572

Formula: - C22 H40 N4 -
Comments: Moon, Dohyun; Hong, Yong Pyo; Choi, Jong-Ha Spectroscopic characterization and molecular structure of 3,14-dimethyl-2,6,13,17-tetraazapentacyclo[16.4.0.1^2,17^.1^6,13^.0^7,12^]tetracosane Acta Crystallographica Section C 72(9) (2016)
Space group: P -1
Cell volume: 502.18
Cell parameters: 5.299; 9.072; 10.604; 92.3; 90.1; 99.61;

COD ID: 2020573

Formula: - C13 H10 F2 N2 O -
Comments: Capacci-Daniel, Christina A.; Bertke, Jeffery A.; Dehghan, Shoaleh; Hiremath-Darji, Rupa; Swift, Jennifer A. Concomitant polymorphs of 1,3-bis(3-fluorophenyl)urea Acta Crystallographica Section C 72(9) (2016)
Space group: C 1 2/c 1
Cell volume: 2254
Cell parameters: 20.6614; 12.6052; 9.1691; 90; 109.284; 90;

COD ID: 2020574
CIF file HKL data	Formula: - C13 H10 F2 N2 O - Comments: Capacci-Daniel, Christina A.; Bertke, Jeffery A.; Dehghan, Shoaleh; Hiremath-Darji, Rupa; Swift, Jennifer A. Concomitant polymorphs of 1,3-bis(3-fluorophenyl)urea Acta Crystallographica Section C 72(9) (2016) Space group: P n a 21 Cell volume: 1104.85 Cell parameters: 23.5797; 10.1792; 4.6031; 90; 90; 90;

COD ID: 2020575

Formula: - C4 H6 N4 -
Comments: Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded ADA/DAD synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine Acta Crystallographica Section C 72(9) (2016)
Space group: P 1 21/c 1
Cell volume: 494.5
Cell parameters: 12.033; 4.0256; 11.5992; 90; 118.346; 90;

COD ID: 2020576

Formula: - C6 H10 N4 O -
Comments: Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded ADA/DAD synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine Acta Crystallographica Section C 72(9) (2016)
Space group: P 1 21/c 1
Cell volume: 746.6
Cell parameters: 7.6282; 7.2157; 13.879; 90; 102.243; 90;

COD ID: 2020577

Formula: - C8 H15 N5 O -
Comments: Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded ADA/DAD synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine Acta Crystallographica Section C 72(9) (2016)
Space group: P -1
Cell volume: 518.63
Cell parameters: 8.0055; 8.0256; 9.3143; 81.779; 78.053; 62.518;

COD ID: 2020578

Formula: - C9 H15 N5 O -
Comments: Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded ADA/DAD synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine Acta Crystallographica Section C 72(9) (2016)
Space group: P 1 21/n 1
Cell volume: 2098.9
Cell parameters: 7.387; 24.8978; 11.5485; 90; 98.824; 90;

COD ID: 2020579

Formula: - C8 H10 N6 O3 -
Comments: Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded ADA/DAD synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine Acta Crystallographica Section C 72(9) (2016)
Space group: P 1 21/c 1
Cell volume: 1009.1
Cell parameters: 4.6822; 15.948; 13.514; 90; 90.24; 90;

COD ID: 2020580

Formula: - C14 H24 N8 O4 S -
Comments: Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded ADA/DAD synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine Acta Crystallographica Section C 72(9) (2016)
Space group: P 1 21/n 1
Cell volume: 1994.7
Cell parameters: 8.0115; 19.2213; 12.9531; 90; 90.23; 90;

COD ID: 2020581

Formula: - C16 H28 N8 O4 S -
Comments: Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded ADA/DAD synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine Acta Crystallographica Section C 72(9) (2016)
Space group: P 1 21/n 1
Cell volume: 2190.1
Cell parameters: 9.8868; 17.238; 12.8571; 90; 88.151; 90;

COD ID: 2020582

Formula: - C80 H60 Co4 N8 O8 -
Comments: Wang, Yingying; Wen, Meixia; Gao, Zhongjun; Sheng, Ning Crystal structure and magnetic properties of a linear tetranuclear Co^II^ cluster Acta Crystallographica Section C 72(9) (2016)
Space group: P 1 21/n 1
Cell volume: 3389
Cell parameters: 11.6762; 18.3463; 16.07; 90; 100.105; 90;

COD ID: 2020583

Formula: - C16 H20 Ca2 N4 O18 P4 -
Comments: Venkatramaiah, Nutalapati; Mendes, Ricardo F.; Silva, Artur M. S.; Tomé, João P. C.; Almeida Paz, Filipe A. A ladder coordination polymer based on Ca^2+^ and (4,5-dicyano-1,2-phenylene)bis(phosphonic acid): crystal structure and solution-state NMR study Acta Crystallographica Section C 72(9) (2016)
Space group: P 1 21/c 1
Cell volume: 2892.8
Cell parameters: 16.4384; 25.2929; 6.9599; 90; 91.493; 90;

COD ID: 2020584

Formula: - C25 H20 Co N3 O6 -
Comments: Hasi, Qi-Meige; Fan, Yan; Hou, Chen; Yao, Xiao-Qiang; Liu, Jia-Cheng Two new two-dimensional coordination polymers based on isophthalate and a flexible N-donor ligand containing benzimidazole and pyridine rings: synthesis, crystal structures and a solid-state UV‒Vis study Acta Crystallographica Section C 72(10) (2016) 724-729
Space group: P -1
Cell volume: 1024.6
Cell parameters: 9.995; 10.294; 10.796; 108.73; 99.81; 94.99;

COD ID: 2020585

Formula: - C25 H20 Cd N3 O6 -
Comments: Hasi, Qi-Meige; Fan, Yan; Hou, Chen; Yao, Xiao-Qiang; Liu, Jia-Cheng Two new two-dimensional coordination polymers based on isophthalate and a flexible N-donor ligand containing benzimidazole and pyridine rings: synthesis, crystal structures and a solid-state UV‒Vis study Acta Crystallographica Section C 72(10) (2016) 724-729
Space group: P -1
Cell volume: 1075.6
Cell parameters: 9.9608; 10.548; 11.1137; 108.408; 99.712; 96.218;

COD ID: 2020586

Formula: - C11 H17 N O2 -
Comments: Vealey, Zachary N.; Mercado, Brandon Q.; Vaccaro, Patrick H. The tropolone‒isobutylamine complex: a hydrogen-bonded troponoid without dominant π‒π interactions Acta Crystallographica Section C 72(10) (2016) 730-737
Space group: P 1 21/c 1
Cell volume: 1114.71
Cell parameters: 6.577; 9.5518; 17.8425; 90; 96.026; 90;

COD ID: 2020587

Formula: - C22 H22 N2 O6 -
Comments: Ali, Md. Ashraf; Noguchi, Shuji; Watanabe, Miteki; Iwao, Yasunori; Itai, Shigeru The antitumour drug 7-ethyl-10-hydroxycamptothecin monohydrate and its solid-state hydrolysis mechanism on heating Acta Crystallographica Section C 72(10) (2016) 743-747
Space group: P 1 21 1
Cell volume: 930.4
Cell parameters: 8.529; 7.352; 15.075; 90; 100.18; 90;

COD ID: 2020588

Formula: - C69 H66 N14 O20 -
Comments: Lynch, Daniel E.; Smith, Graham; Keene, Tony D.; Horton, Peter N. Crystal structure and hydrogen bonding in the hydrated cocrystalline salt tryptaminium‒3,5-dinitrobenzoate‒quinoline‒water (3/3/2/2) Acta Crystallographica Section C 72(10) (2016) 738-742
Space group: P -1
Cell volume: 3266.3
Cell parameters: 14.521; 15.5102; 15.6438; 80.506; 88.951; 70.168;

COD ID: 2020589

Formula: - C20 H16 O2 -
Comments: Bosch, Eric Cocrystals of 1,4-diethynylbenzene with 1,3-diacetylbenzene and benzene-1,4-dicarbaldehyde exhibiting strong nonconventional alkyne‒carbonyl C—H···O hydrogen bonds between the components Acta Crystallographica Section C 72(10) (2016) 748-752
Space group: C 1 2/c 1
Cell volume: 1558.6
Cell parameters: 19.749; 7.284; 13.374; 90; 125.89; 90;

COD ID: 2020590

Formula: - C18 H12 O2 -
Comments: Bosch, Eric Cocrystals of 1,4-diethynylbenzene with 1,3-diacetylbenzene and benzene-1,4-dicarbaldehyde exhibiting strong nonconventional alkyne‒carbonyl C—H···O hydrogen bonds between the components Acta Crystallographica Section C 72(10) (2016) 748-752
Space group: P 1 21/c 1
Cell volume: 670.83
Cell parameters: 7.6207; 8.5205; 10.3361; 90; 91.762; 90;

COD ID: 2020591

Formula: - C17 H24 Cl N O5 Pt -
Comments: Nguyen Thi Thanh, Chi; Pham Van, Thong; Le Thi Hong, Hai; Van Meervelt, Luc Crystallization experiments with the dinuclear chelate ring complex di-μ-chlorido-bis[(η^2^-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κC^1^)platinum(II)] Acta Crystallographica Section C 72(10) (2016) 758-764
Space group: P -1
Cell volume: 947.3
Cell parameters: 8.3747; 10.5732; 11.0883; 76.67; 89.496; 82.641;

COD ID: 2020592

Formula: - C16 H23 Cl O5 Pt S -
Comments: Nguyen Thi Thanh, Chi; Pham Van, Thong; Le Thi Hong, Hai; Van Meervelt, Luc Crystallization experiments with the dinuclear chelate ring complex di-μ-chlorido-bis[(η^2^-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κC^1^)platinum(II)] Acta Crystallographica Section C 72(10) (2016) 758-764
Space group: P -1
Cell volume: 1843.5
Cell parameters: 8.792; 12.1383; 17.4745; 87.03; 82.074; 87.651;

COD ID: 2020593

Formula: - C30 H38 Cl2 O8 Pt2 -
Comments: Nguyen Thi Thanh, Chi; Pham Van, Thong; Le Thi Hong, Hai; Van Meervelt, Luc Crystallization experiments with the dinuclear chelate ring complex di-μ-chlorido-bis[(η^2^-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κC^1^)platinum(II)] Acta Crystallographica Section C 72(10) (2016) 758-764
Space group: P 1 21/n 1
Cell volume: 1654.15
Cell parameters: 13.56; 7.98332; 15.8057; 90; 104.815; 90;

COD ID: 2020594

Formula: - C4 H6 O3 -
Comments: Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W. Acetic anhydride at 100K: the first crystal structure determination Acta Crystallographica Section C 72(10) (2016) 753-757
Space group: P b c n
Cell volume: 503.93
Cell parameters: 8.0707; 7.8733; 7.9305; 90; 90; 90;

COD ID: 2020596

Formula: - C22 H38 B Bi Cl2 N6 O S3 -
Comments: Fujisawa, Kiyoshi; Kuboniwa, Ayaka; Kiss, Mercedesz; Szilagyi, Robert K. Mono- and binuclear tris(3-tert-butyl-2-sulfanylidene-1H-imidazol-1-yl)hydroborate bismuth(III) dichloride complexes: a soft scorpionate ligand can coordinate to p-block elements Acta Crystallographica Section C 72(11) (2016) 768-776
Space group: P -1
Cell volume: 1545.08
Cell parameters: 10.2899; 10.6653; 15.9818; 72.157; 83.838; 67.742;

COD ID: 2020597

Formula: - C42 H68 B2 Bi2 Cl4 N12 S6 -
Comments: Fujisawa, Kiyoshi; Kuboniwa, Ayaka; Kiss, Mercedesz; Szilagyi, Robert K. Mono- and binuclear tris(3-tert-butyl-2-sulfanylidene-1H-imidazol-1-yl)hydroborate bismuth(III) dichloride complexes: a soft scorpionate ligand can coordinate to p-block elements Acta Crystallographica Section C 72(11) (2016) 768-776
Space group: P -1
Cell volume: 1429.9
Cell parameters: 10.8009; 11.3698; 11.869; 95.125; 91.947; 99.549;

COD ID: 2020598

Formula: - C39 H48 B N6 O Tl -
Comments: Fujisawa, Kiyoshi; Shimizu, Masaya; Szilagyi, Robert K. Comparison of thallium(I) complexes with mesityl-substituted tris(pyrazolyl)hydroborate ligands, [Tl{HB(3-Ms-5-Mepz)~3~}] and [Tl{HB(3-Ms-5-Mepz)~2~(3-Me-5-Mspz)}] Acta Crystallographica Section C 72(11) (2016) 786-790
Space group: R -3 :H
Cell volume: 5741.6
Cell parameters: 11.7826; 11.7826; 47.755; 90; 90; 120;

COD ID: 2020599

Formula: - C39 H46 B N6 Tl -
Comments: Fujisawa, Kiyoshi; Shimizu, Masaya; Szilagyi, Robert K. Comparison of thallium(I) complexes with mesityl-substituted tris(pyrazolyl)hydroborate ligands, [Tl{HB(3-Ms-5-Mepz)~3~}] and [Tl{HB(3-Ms-5-Mepz)~2~(3-Me-5-Mspz)}] Acta Crystallographica Section C 72(11) (2016) 786-790
Space group: P -1
Cell volume: 1827.5
Cell parameters: 11.5262; 11.8485; 14.523; 108.735; 100.095; 94.933;

COD ID: 2020600

Formula: - C51 H56 B2 Br6 N12 Ni -
Comments: Trofimenko, Swiatoslaw; Jové, Fernando; Yap, Glenn P. A. An unusual bis-heteroscorpionate complex with anomalous ligands: [tris(3,4-dibromo-5-phenylpyrazolyl)hydroborato][hydrotris(3-neopentylpyrazolyl)borato]nickel(II) Acta Crystallographica Section C 72(11) (2016) 802-805
Space group: P -1
Cell volume: 5578
Cell parameters: 12.833; 21.295; 22.787; 69.299; 74.191; 89.546;

COD ID: 2020601

Formula: - C36 H28 B N8 Tl -
Comments: Infantes, Lourdes; Claramunt, Rosa M.; Sanz, Dionisia; Alkorta, Ibon; Elguero, José The structures of two scorpionates: thallium tetrakis(3-phenyl-1H-pyrazol-1-yl)borate and potassium tetrakis(3-cyclopropyl-1H-pyrazol-1-yl)borate Acta Crystallographica Section C 72(11) (2016) 819-825
Space group: P 1 21/c 1
Cell volume: 3250.2
Cell parameters: 9.9552; 13.1693; 24.7993; 90; 91.463; 90;

COD ID: 2020602

Formula: - C24 H28 B K N8 -
Comments: Infantes, Lourdes; Claramunt, Rosa M.; Sanz, Dionisia; Alkorta, Ibon; Elguero, José The structures of two scorpionates: thallium tetrakis(3-phenyl-1H-pyrazol-1-yl)borate and potassium tetrakis(3-cyclopropyl-1H-pyrazol-1-yl)borate Acta Crystallographica Section C 72(11) (2016) 819-825
Space group: C 1 2/c 1
Cell volume: 2504.3
Cell parameters: 19.547; 8.391; 17.153; 90; 117.111; 90;

COD ID: 2020603

Formula: - C17 H16 Ag B F9 N7 -
Comments: Dias, H. V. Rasika; Kulkarni, Naveen The silver(I) complex [HB{3-(CF~3~),5-(CH~3~)Pz}~3~]AgNCCH~3~ supported by a partially fluorinated scorpionate ligand Acta Crystallographica Section C 72(11) (2016) 853-856
Space group: P -1
Cell volume: 1115.14
Cell parameters: 8.9547; 11.3267; 11.8011; 102.919; 103.564; 96.901;

COD ID: 2020604

Formula: - C24 H25 Ag B F4 N8 O1.5 -
Comments: Semeniuc, Radu F.; Reger, Daniel L.; Smith, Mark D. Silver(I) and rhenium(I) metal complexes of a 2,2'-bipyridine-functionalized third-generation tris(pyrazolyl)methane ligand Acta Crystallographica Section C 72(11) (2016) 826-831
Space group: C 1 2/c 1
Cell volume: 5261
Cell parameters: 20.4544; 11.9881; 21.4952; 90; 93.493; 90;

COD ID: 2020605
CIF file HKL data	Formula: - C25 H20 Br N8 O4 Re - Comments: Semeniuc, Radu F.; Reger, Daniel L.; Smith, Mark D. Silver(I) and rhenium(I) metal complexes of a 2,2'-bipyridine-functionalized third-generation tris(pyrazolyl)methane ligand Acta Crystallographica Section C 72(11) (2016) 826-831 Space group: P -1 Cell volume: 1285.31 Cell parameters: 8.8322; 11.4361; 14.4346; 67.708; 73.552; 89.664;

COD ID: 2020606

Formula: - C68 H98 B2 Co2 N14 O4 -
Comments: Mikhalyova, Elena A.; Trofimenko, Swiatoslaw; Zeller, Matthias; Addison, Anthony W.; Pavlishchuk, Vitaly V. New homodinuclear tris(3-alkylpyrazolyl)borate complexes of Co^II^ and Ni^II^ with a tetraacetylethane dianion as a bridging ligand Acta Crystallographica Section C 72(11) (2016) 777-785
Space group: P -1
Cell volume: 3393
Cell parameters: 13.175; 13.672; 19.571; 77.203; 80.89; 89.522;

COD ID: 2020607

Formula: - C58 H92 B2 N12 Ni2 O4 -
Comments: Mikhalyova, Elena A.; Trofimenko, Swiatoslaw; Zeller, Matthias; Addison, Anthony W.; Pavlishchuk, Vitaly V. New homodinuclear tris(3-alkylpyrazolyl)borate complexes of Co^II^ and Ni^II^ with a tetraacetylethane dianion as a bridging ligand Acta Crystallographica Section C 72(11) (2016) 777-785
Space group: F d d 2
Cell volume: 12559
Cell parameters: 19.63; 61.387; 10.422; 90; 90; 90;

COD ID: 2020608

Formula: - C23 H40 B N7 P Rh -
Comments: Jiao, Yunzhe; Brennessel, William W.; Jones, William D. Nitrile coordination to rhodium does not lead to C—H activation Acta Crystallographica Section C 72(11) (2016) 850-852
Space group: P 1 21 1
Cell volume: 1349.1
Cell parameters: 8.4544; 15.0084; 10.6904; 90; 95.975; 90;

COD ID: 2020609

Formula: - C35 H31 B N6 Ni O -
Comments: Green, William L.; Sirianni, Eric R.; Yap, Glenn P. A.; Riordan, Charles G. Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides Acta Crystallographica Section C 72(11) (2016) 791-796
Space group: P -1
Cell volume: 3081.2
Cell parameters: 11.69; 11.844; 25.618; 91.698; 93.037; 119.345;

COD ID: 2020610

Formula: - C37 H35 B N6 Ni O -
Comments: Green, William L.; Sirianni, Eric R.; Yap, Glenn P. A.; Riordan, Charles G. Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides Acta Crystallographica Section C 72(11) (2016) 791-796
Space group: P -1
Cell volume: 1649.8
Cell parameters: 8.428; 13.516; 15.064; 99.293; 102.679; 90.9;

COD ID: 2020611

Formula: - C41 H43 B N6 Ni O3 -
Comments: Green, William L.; Sirianni, Eric R.; Yap, Glenn P. A.; Riordan, Charles G. Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides Acta Crystallographica Section C 72(11) (2016) 791-796
Space group: P 21 21 21
Cell volume: 3739
Cell parameters: 10.868; 11.985; 28.705; 90; 90; 90;

COD ID: 2020612

Formula: - C37 H31 B Cl4 N8 Ni -
Comments: Green, William L.; Sirianni, Eric R.; Yap, Glenn P. A.; Riordan, Charles G. Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides Acta Crystallographica Section C 72(11) (2016) 791-796
Space group: P -1
Cell volume: 1825.1
Cell parameters: 11.941; 11.986; 14.034; 80.223; 81.483; 67.81;

COD ID: 2020613

Formula: - C33 H27 B N6 Ni O -
Comments: Green, William L.; Sirianni, Eric R.; Yap, Glenn P. A.; Riordan, Charles G. Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides Acta Crystallographica Section C 72(11) (2016) 791-796
Space group: P -1
Cell volume: 1448.4
Cell parameters: 8.505; 13.071; 13.531; 79.484; 78.356; 87.112;

COD ID: 2020614

Formula: - C44 H35 Fe N6 P S3 -
Comments: Ishida, Takayuki; Kanetomo, Takuya; Yamasaki, Masaru An iron(II) complex tripodally chelated with 1,1,1-tris(pyridin-2-yl)ethane showing room-temperature spin-crossover behaviour Acta Crystallographica Section C 72(11) (2016) 797-801
Space group: P 1 21/c 1
Cell volume: 4009.9
Cell parameters: 8.956; 15.7745; 28.455; 90; 94.067; 90;

COD ID: 2020615

Formula: - C44 H35 Fe N6 P S3 -
Comments: Ishida, Takayuki; Kanetomo, Takuya; Yamasaki, Masaru An iron(II) complex tripodally chelated with 1,1,1-tris(pyridin-2-yl)ethane showing room-temperature spin-crossover behaviour Acta Crystallographica Section C 72(11) (2016) 797-801
Space group: P 1 21/c 1
Cell volume: 4170.7
Cell parameters: 9.069; 15.984; 28.82; 90; 93.316; 90;

COD ID: 2020616

Formula: - C31 H42 B Fe N6 Tl -
Comments: Sirianni, Eric R.; Cummins, Daniel C.; Yap, Glenn P. A.; Theopold, Klaus H. FcTp(R) (R = ^i^Pr or ^t^Bu): third-generation ferrocenyl scorpionates Acta Crystallographica Section C 72(11) (2016) 813-818
Space group: P 1 21/c 1
Cell volume: 3193.8
Cell parameters: 9.669; 14.332; 23.263; 90; 97.809; 90;

COD ID: 2020617

Formula: - C28 H36 B Fe N6 Tl -
Comments: Sirianni, Eric R.; Cummins, Daniel C.; Yap, Glenn P. A.; Theopold, Klaus H. FcTp(R) (R = ^i^Pr or ^t^Bu): third-generation ferrocenyl scorpionates Acta Crystallographica Section C 72(11) (2016) 813-818
Space group: C 1 2/c 1
Cell volume: 5779.8
Cell parameters: 21.4659; 15.7392; 17.27; 90; 97.87; 90;

COD ID: 2020618

Formula: - C31 H42 B Cl Co Fe N6 -
Comments: Sirianni, Eric R.; Cummins, Daniel C.; Yap, Glenn P. A.; Theopold, Klaus H. FcTp(R) (R = ^i^Pr or ^t^Bu): third-generation ferrocenyl scorpionates Acta Crystallographica Section C 72(11) (2016) 813-818
Space group: P 1 21/n 1
Cell volume: 3119
Cell parameters: 10.3229; 18.362; 16.642; 90; 98.595; 90;

COD ID: 2020619
CIF file Original IUCr paper	Formula: - C43 H54 B Co Fe I N6 - Comments: Sirianni, Eric R.; Cummins, Daniel C.; Yap, Glenn P. A.; Theopold, Klaus H. FcTp(<i>R</i>) (<i>R</i> = ^<i>i^</i>Pr or ^<i>t^</i>Bu): third-generation ferrocenyl scorpionates Acta Crystallographica Section C 72(11) (2016) 813-818 Space group: P 1 21/n 1 Cell volume: 4257 Cell parameters: 10.015; 27.481; 15.483; 90; 92.66; 90;

COD ID: 2020620

Formula: - C28 H36 B Co Fe I N6 -
Comments: Sirianni, Eric R.; Cummins, Daniel C.; Yap, Glenn P. A.; Theopold, Klaus H. FcTp(R) (R = ^i^Pr or ^t^Bu): third-generation ferrocenyl scorpionates Acta Crystallographica Section C 72(11) (2016) 813-818
Space group: P 1 21/n 1
Cell volume: 2987.3
Cell parameters: 12.7937; 16.0612; 14.7531; 90; 99.794; 90;

COD ID: 2020621

Formula: - C32 H40 B2 N16 Sm -
Comments: Arikawa, Yasuhiro; Inada, Kei-ichiro; Onishi, Masayoshi Side-on coordination mode of a pyrazolyl group in the structure of a divalent [Sm{B(3-Mepz)~4~}~2~] complex (3-Mepz is 3-methylpyrazol-1-yl) Acta Crystallographica Section C 72(11) (2016) 838-841
Space group: P 1 21/c 1
Cell volume: 3621.1
Cell parameters: 11.2742; 22.304; 14.4624; 90; 95.3065; 90;

COD ID: 2020622
CIF file Original IUCr paper	Formula: - C29 H42 B Cl2 N6 S3 Zr - Comments: Rong, Yi; Sambade, David; Parkin, Gerard Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium Acta Crystallographica Section C 72(11) (2016) 806-812 Space group: P 1 21/n 1 Cell volume: 3397.9 Cell parameters: 14.761; 11.358; 20.73; 90; 102.13; 90;

COD ID: 2020623
CIF file Original IUCr paper	Formula: - C29 H42 B Cl2 N6 S3 Ti - Comments: Rong, Yi; Sambade, David; Parkin, Gerard Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium Acta Crystallographica Section C 72(11) (2016) 806-812 Space group: P 1 21/n 1 Cell volume: 3323 Cell parameters: 14.72; 11.327; 20.422; 90; 102.593; 90;

COD ID: 2020624
CIF file Original IUCr paper	Formula: - C19 H29 B Cl2 N4 S2 Zr - Comments: Rong, Yi; Sambade, David; Parkin, Gerard Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium Acta Crystallographica Section C 72(11) (2016) 806-812 Space group: P 1 21 1 Cell volume: 2481 Cell parameters: 10.202; 18.21; 13.356; 90; 90.814; 90;

COD ID: 2020625
CIF file Original IUCr paper	Formula: - C25 H34 Cl2 N4 S2 Zr - Comments: Rong, Yi; Sambade, David; Parkin, Gerard Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium Acta Crystallographica Section C 72(11) (2016) 806-812 Space group: P -1 Cell volume: 1414.7 Cell parameters: 10.5741; 10.7222; 14.246; 93.93; 92.094; 118.274;

COD ID: 2020626
CIF file Original IUCr paper	Formula: - C66 H79 B Hf N6 S3 - Comments: Rong, Yi; Sambade, David; Parkin, Gerard Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium Acta Crystallographica Section C 72(11) (2016) 806-812 Space group: P a -3 Cell volume: 12397.1 Cell parameters: 23.1441; 23.1441; 23.1441; 90; 90; 90;

COD ID: 2020627

Formula: - C21 H29 B Cl N3 Ni O3 -
Comments: Takayama, Tomoaki; Nakazawa, Jun; Hikichi, Shiro A pseudotetrahedral nickel(II) complex with a tridentate oxazoline-based scorpionate ligand: chlorido[tris(4,4-dimethyloxazolin-2-yl)phenylborato]nickel(II) Acta Crystallographica Section C 72(11) (2016) 842-845
Space group: P 1 21/c 1
Cell volume: 2280.7
Cell parameters: 10.8792; 13.221; 15.972; 90; 96.899; 90;

COD ID: 2020628

Formula: - C70 H86 B4 Cd2 F16 N28 O6 -
Comments: Semeniuc, Radu F.; Reger, Daniel L.; Smith, Mark D. A cadmium(II) coordination polymer formed from a third generation tetratopic tris(pyrazolyl)methane ligand Acta Crystallographica Section C 72(11) (2016) 832-837
Space group: P 1 21/n 1
Cell volume: 4239.5
Cell parameters: 14.4909; 16.1418; 18.2891; 90; 97.687; 90;

COD ID: 2020629

Formula: - C9 Br9 N6 O P -
Comments: Nicolas, Emmanuel; Cheisson, Thibault; de Jong, G. Bas; Tazelaar, Cornelis G. J.; Slootweg, J. Chris A new synthetic route to the electron-deficient ligand tris(3,4,5-tribromopyrazol-1-yl)phosphine oxide Acta Crystallographica Section C 72(11) (2016) 846-849
Space group: P n a 21
Cell volume: 4271.5
Cell parameters: 17.0187; 9.7329; 25.7877; 90; 90; 90;

COD ID: 2020630

Formula: - C29 H24 Au Cl N2 -
Comments: Tacke, Matthias; Dada, Oyinlola; O'Beirne, Cillian; Zhu, Xiangming; Müller-Bunz, Helge The non-isomorphous crystal structures of NHC—Au—Cl and NHC—Au—Br (NHC is 1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene) Acta Crystallographica Section C 72(11) (2016) 857-860
Space group: P -1
Cell volume: 1197.63
Cell parameters: 6.9686; 11.8758; 15.1008; 98.249; 95.337; 102.467;

COD ID: 2020631

Formula: - C29 H24 Au Br N2 -
Comments: Tacke, Matthias; Dada, Oyinlola; O'Beirne, Cillian; Zhu, Xiangming; Müller-Bunz, Helge The non-isomorphous crystal structures of NHC—Au—Cl and NHC—Au—Br (NHC is 1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene) Acta Crystallographica Section C 72(11) (2016) 857-860
Space group: P -1
Cell volume: 4955.23
Cell parameters: 7.0973; 15.3919; 45.4224; 87.896; 87.876; 89.871;

COD ID: 2020632

Formula: - C66 H39 Cu N11 O6 -
Comments: Seidel, Rüdiger W.; Goddard, Richard; Mayer-Gall, Thomas; Oppel, Iris M. A synchrotron study of [5,10,15,20-tetrakis(3-cyanophenyl)porphyrinato-κ^4^N^5^,N^10^,N^15^,N^20^]copper(II) nitrobenzene trisolvate at 80K Acta Crystallographica Section C 72(11) (2016) 861-866
Space group: P -1
Cell volume: 1326.8
Cell parameters: 8.234; 11.872; 14.212; 104.37; 94.85; 96.85;

COD ID: 2020633

Formula: - C20 H18 N4 -
Comments: Geiger, David K.; DeStefano, Matthew R. Conformational differences and intermolecular C—H···N interactions in three polymorphs of a bis(pyridinyl)-substituted benzimidazole Acta Crystallographica Section C 72(11) (2016) 867-874
Space group: P b c a
Cell volume: 3250.7
Cell parameters: 7.9688; 12.5553; 32.4903; 90; 90; 90;

COD ID: 2020634

Formula: - C20 H18 N4 -
Comments: Geiger, David K.; DeStefano, Matthew R. Conformational differences and intermolecular C—H···N interactions in three polymorphs of a bis(pyridinyl)-substituted benzimidazole Acta Crystallographica Section C 72(11) (2016) 867-874
Space group: P -1
Cell volume: 831.1
Cell parameters: 6.192; 8.214; 16.488; 85.335; 85.257; 85.774;

COD ID: 2020637

Formula: - C23 H19 Cl2 N5 O5 S2 -
Comments: Freire, Eleonora; Polla, Griselda; Baggio, Ricardo Hydrogen-bonding synthons in lamotrigine salts: 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 2-[(2-carboxyphenyl)disulfanyl]benzoate in its monohydrate and anhydrous forms Acta Crystallographica Section C 72(11) (2016) 910-916
Space group: P -1
Cell volume: 1252.1
Cell parameters: 8.0598; 12.3474; 13.4484; 100.996; 98.101; 103.659;

COD ID: 2020638

Formula: - C23 H17 Cl2 N5 O4 S2 -
Comments: Freire, Eleonora; Polla, Griselda; Baggio, Ricardo Hydrogen-bonding synthons in lamotrigine salts: 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 2-[(2-carboxyphenyl)disulfanyl]benzoate in its monohydrate and anhydrous forms Acta Crystallographica Section C 72(11) (2016) 910-916
Space group: P -1
Cell volume: 1197.57
Cell parameters: 8.5368; 12.31; 12.9348; 64.689; 86.474; 77.23;

COD ID: 2020639

Formula: - C21 H17 N O2 -
Comments: Lifshits, Liubov M.; Singh, Varun; Zeller, Matthias; Klosterman, Jeremy K. Ethyl 4-(9H-carbazol-9-yl)benzoate: fivefold superstructure with ten crystallographically independent molecules refined from a twinned crystal Acta Crystallographica Section C 72(11) (2016) 901-909
Space group: P 1 21/c 1
Cell volume: 16389.4
Cell parameters: 16.4815; 24.8758; 39.975; 90; 90.0317; 90;

COD ID: 2020640

Formula: - C22 H18 Co N4 O4 -
Comments: Liu, Ping; Liu, Qiuxia; Zhao, Ning; An, Caixia; Lian, Zhaoxun Structure and third-order nonlinear optical properties of the two-dimensional Co^II^ coordination polymer [Co(1,2-BIB)(PA)]~n~ {1,2-BIB is 1,2-bis[(1H-imidazol-1-yl)methyl]benzene and H~2~PA is phthalic acid} Acta Crystallographica Section C 72(11) (2016) 890-894
Space group: P 1 21/c 1
Cell volume: 1926.4
Cell parameters: 12.4659; 14.4336; 11.849; 90; 115.366; 90;

COD ID: 2020641

Formula: - C21 H18 O9 -
Comments: Tamboli, Majid I.; Krishanaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S. Engineering crystals that facilitate the acyl-transfer reaction: insight from a comparison of the crystal structures of myo-inositol-1,3,5-orthoformate-derived benzoates and carbonates Acta Crystallographica Section C 72(11) (2016) 875-881
Space group: P 1 21/c 1
Cell volume: 1807.77
Cell parameters: 14.7254; 5.8819; 21.151; 90; 99.321; 90;

COD ID: 2020642

Formula: - C21 H18 O8 S -
Comments: Tamboli, Majid I.; Krishanaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S. Engineering crystals that facilitate the acyl-transfer reaction: insight from a comparison of the crystal structures of myo-inositol-1,3,5-orthoformate-derived benzoates and carbonates Acta Crystallographica Section C 72(11) (2016) 875-881
Space group: P 1 21/c 1
Cell volume: 1868.86
Cell parameters: 14.5888; 6.044; 21.5364; 90; 100.216; 90;

COD ID: 2020643

Formula: - C6 H9 N3 O6 S -
Comments: Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives Acta Crystallographica Section C 72(11) (2016) 882-889
Space group: P -1
Cell volume: 1000.9
Cell parameters: 7.835; 8.105; 15.881; 97.03; 90.21; 90.15;

COD ID: 2020644
CIF file HKL data	Formula: - C12 H16 N6 O8 S - Comments: Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives Acta Crystallographica Section C 72(11) (2016) 882-889 Space group: C 1 2/c 1 Cell volume: 1743.8 Cell parameters: 10.557; 13.632; 12.211; 90; 97.12; 90;

COD ID: 2020645
CIF file HKL data	Formula: - C6 H10 N2 O4 S - Comments: Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives Acta Crystallographica Section C 72(11) (2016) 882-889 Space group: P -1 Cell volume: 907.1 Cell parameters: 8.029; 10.645; 11.541; 82.95; 87.95; 67.93;

COD ID: 2020646

Formula: - C12 H20 N4 O5 S -
Comments: Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives Acta Crystallographica Section C 72(11) (2016) 882-889
Space group: P 1 21/c 1
Cell volume: 1561.5
Cell parameters: 10.909; 10.7; 14.267; 90; 110.34; 90;

COD ID: 2020647

Formula: - C20 H24 Mn N6 O6 S -
Comments: Lu, Xin-Hua; Zhong, Kai-Long A new three-dimensional manganese(II) coordination polymer based on the 1,3,5-tris[(1H-imidazol-1-yl)methyl]benzene ligand Acta Crystallographica Section C 72(11) (2016) 895-900
Space group: P -1
Cell volume: 1125.14
Cell parameters: 8.8547; 9.9689; 12.9721; 97.005; 97.885; 90.929;

COD ID: 2020648

Formula: - C20 H18 Br2 N10 Zn -
Comments: Liu, Chun-Li; Wei, Xu; Huang, Qiu-Ying; Meng, Xiang-Ru Syntheses, structures and properties of two new isostructural zinc(II) complexes based on 1-[(benzotriazol-1-yl)methyl]-1H-imidazole Acta Crystallographica Section C 72(11) (2016) 917-922
Space group: P b c n
Cell volume: 2299.4
Cell parameters: 11.498; 11.715; 17.071; 90; 90; 90;

COD ID: 2020649

Formula: - C20 H18 I2 N10 Zn -
Comments: Liu, Chun-Li; Wei, Xu; Huang, Qiu-Ying; Meng, Xiang-Ru Syntheses, structures and properties of two new isostructural zinc(II) complexes based on 1-[(benzotriazol-1-yl)methyl]-1H-imidazole Acta Crystallographica Section C 72(11) (2016) 917-922
Space group: P b c n
Cell volume: 2441.7
Cell parameters: 11.729; 11.853; 17.563; 90; 90; 90;

COD ID: 2020653

Formula: - C24 H16 N4 -
Comments: Granifo, Juan; Arévalo, Beatriz; Gaviño, Rubén; Suárez, Sebastián; Baggio, Ricardo Structural and theoretical characterization of a new twisted 4'-substituted terpyridine compound: 4'-(isoquinolin-4-yl)-2,2':6',2''-terpyridine Acta Crystallographica Section C 72(12) (2016) 932-938
Space group: P 1 21/n 1
Cell volume: 1776.38
Cell parameters: 12.3897; 8.794; 17.1791; 90; 108.369; 90;

COD ID: 2020654

Formula: - C56 H66 Cd N14 O22 S2 -
Comments: Yuan, Gan-Yin; Zhang, Lei; Wang, Meng-Jie; Zhang, Kou-Lin Synthesis and characterization of a cadmium(II)‒organic supramolecular coordination compound based on the multifunctional 2-amino-5-sulfobenzoic acid ligand Acta Crystallographica Section C 72(12) (2016) 939-946
Space group: P -1
Cell volume: 1570
Cell parameters: 10.8873; 11.4736; 13.4521; 87.806; 88.438; 69.247;

COD ID: 2020655

Formula: - C34 H28 Ag2 Cl4 N4 O4 -
Comments: Hamamci Alisir, Sevim; Dege, Necmi A new antibacterial silver(I) complex incorporating 2,5-dimethylpyrazine and the anti-inflammatory diclofenac Acta Crystallographica Section C 72(12) (2016) 947-951
Space group: C 1 2/c 1
Cell volume: 3326.9
Cell parameters: 36.3376; 9.6778; 9.4818; 90; 93.86; 90;

COD ID: 2020656

Formula: - C20 H6 I2 N4 -
Comments: Ren, Yi; Lee, Semin; Bertke, Jeffery; Gray, Danielle L.; Moore, Jeffrey S. Synthesis and structures of 11,11,12,12-tetracyano-2,6-diiodo-9,10-anthraquinodimethane and its 2:1 cocrystals with anthracene, pyrene and tetrathiafulvalene Acta Crystallographica Section C 72(12) (2016) 923-931
Space group: P n a 21
Cell volume: 1773.03
Cell parameters: 8.766; 12.2655; 16.4903; 90; 90; 90;

COD ID: 2020657

Formula: - C27 H11 I2 N4 -
Comments: Ren, Yi; Lee, Semin; Bertke, Jeffery; Gray, Danielle L.; Moore, Jeffrey S. Synthesis and structures of 11,11,12,12-tetracyano-2,6-diiodo-9,10-anthraquinodimethane and its 2:1 cocrystals with anthracene, pyrene and tetrathiafulvalene Acta Crystallographica Section C 72(12) (2016) 923-931
Space group: P 1 21/n 1
Cell volume: 2348.4
Cell parameters: 13.7727; 8.5843; 20.5752; 90; 105.115; 90;

COD ID: 2020658

Formula: - C28 H11 I2 N4 -
Comments: Ren, Yi; Lee, Semin; Bertke, Jeffery; Gray, Danielle L.; Moore, Jeffrey S. Synthesis and structures of 11,11,12,12-tetracyano-2,6-diiodo-9,10-anthraquinodimethane and its 2:1 cocrystals with anthracene, pyrene and tetrathiafulvalene Acta Crystallographica Section C 72(12) (2016) 923-931
Space group: P -1
Cell volume: 1220.2
Cell parameters: 8.7758; 12.0214; 13.3155; 66.461; 74.489; 74.462;

COD ID: 2020659

Formula: - C46 H16 I4 N8 S4 -
Comments: Ren, Yi; Lee, Semin; Bertke, Jeffery; Gray, Danielle L.; Moore, Jeffrey S. Synthesis and structures of 11,11,12,12-tetracyano-2,6-diiodo-9,10-anthraquinodimethane and its 2:1 cocrystals with anthracene, pyrene and tetrathiafulvalene Acta Crystallographica Section C 72(12) (2016) 923-931
Space group: P -1
Cell volume: 1129
Cell parameters: 8.615; 11.631; 12.45; 80.247; 74.695; 70.392;

COD ID: 2020660

Formula: - C34 H50 Cl6 N2 O5 -
Comments: Cai, Xiao-Qing; Tian, Bei; Zhang, Jian-Nan; Jin, Zhi-Min The hydrogen-bonded complex bis(tert-butylammonium) 2,6-dichlorophenolate 2,4-dichlorophenol‒2,4-dichlorophenolate tetrahydrofuran disolvate containing a chiral R~5~^3^(10) hydrogen-bonded ring as a supramolecular synthon Acta Crystallographica Section C 72(10) (2016) 720-723
Space group: I 1 2/a 1
Cell volume: 4003.2
Cell parameters: 14.8441; 13.2872; 21.0311; 90; 105.191; 90;

COD ID: 2020663

Formula: - Br9 H9 O3 Sb2 -
Comments: Chang, Jen-Hui; Doert, Thomas; Ruck, Michael (H~3~O)~3~Sb~2~Br~9~: the first member of the M~3~E~2~X~9~ structure family with oxonium cations Acta Crystallographica Section C 72(12) (2016) 966-970
Space group: P 1 21/n 1
Cell volume: 1967.27
Cell parameters: 13.4679; 7.6319; 19.1397; 90; 90.24; 90;

COD ID: 2020664

Formula: - C24 H20 Ag2 N8 Zn -
Comments: Krinchampa, Pattiya; Chainok, Kittipong; Phengthaisong, Siriporn; Youngme, Sujittra; Kielar, Filip; Wannarit, Nanthawat A novel one-dimensional double-chain-like Zn^II^ coordination polymer: poly[bis(1-benzyl-1H-imidazole-κN^3^)tris(μ-cyanido-κ^2^C:N)(cyanido-κC)disilver(I)zinc(II)] Acta Crystallographica Section C 72(12) (2016) 960-965
Space group: P -1
Cell volume: 1328.7
Cell parameters: 9.713; 10.334; 14.717; 96.909; 101.43; 110.323;

COD ID: 2020665

Formula: - C22 H28 N4 O4 -
Comments: Chia, Tze Shyang; Quah, Ching Kheng Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder Acta Crystallographica Section C 72(12) (2016) 971-980
Space group: P 1 21/c 1
Cell volume: 4140.7
Cell parameters: 30.904; 9.3351; 14.353; 90; 90.222; 90;

COD ID: 2020666

Formula: - C22 H28 N4 O4 -
Comments: Chia, Tze Shyang; Quah, Ching Kheng Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder Acta Crystallographica Section C 72(12) (2016) 971-980
Space group: P 1 21/c 1
Cell volume: 4141.4
Cell parameters: 30.92; 9.3363; 14.3462; 90; 90.314; 90;

COD ID: 2020667

Formula: - C22 H28 N4 O4 -
Comments: Chia, Tze Shyang; Quah, Ching Kheng Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder Acta Crystallographica Section C 72(12) (2016) 971-980
Space group: P 1 21/c 1
Cell volume: 4158.5
Cell parameters: 30.975; 9.3542; 14.3524; 90; 90.149; 90;

COD ID: 2020668

Formula: - C22 H28 N4 O4 -
Comments: Chia, Tze Shyang; Quah, Ching Kheng Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder Acta Crystallographica Section C 72(12) (2016) 971-980
Space group: P 1 21/c 1
Cell volume: 4165.5
Cell parameters: 30.9991; 9.3611; 14.3546; 90; 90.0906; 90;

COD ID: 2020669

Formula: - C22 H28 N4 O4 -
Comments: Chia, Tze Shyang; Quah, Ching Kheng Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder Acta Crystallographica Section C 72(12) (2016) 971-980
Space group: P 1 21/c 1
Cell volume: 4167.5
Cell parameters: 31.0071; 9.3634; 14.3544; 90; 90.0656; 90;

COD ID: 2020670

Formula: - C22 H28 N4 O4 -
Comments: Chia, Tze Shyang; Quah, Ching Kheng Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder Acta Crystallographica Section C 72(12) (2016) 971-980
Space group: P c c n
Cell volume: 4169
Cell parameters: 31.0109; 9.3651; 14.3551; 90; 90; 90;

COD ID: 2020671

Formula: - C22 H28 N4 O4 -
Comments: Chia, Tze Shyang; Quah, Ching Kheng Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder Acta Crystallographica Section C 72(12) (2016) 971-980
Space group: P c c n
Cell volume: 4169.3
Cell parameters: 31.0133; 9.3657; 14.354; 90; 90; 90;

COD ID: 2020672

Formula: - C22 H28 N4 O4 -
Comments: Chia, Tze Shyang; Quah, Ching Kheng Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder Acta Crystallographica Section C 72(12) (2016) 971-980
Space group: P c c n
Cell volume: 4173.9
Cell parameters: 31.0259; 9.3706; 14.3567; 90; 90; 90;

COD ID: 2020673

Formula: - C22 H28 N4 O4 -
Comments: Chia, Tze Shyang; Quah, Ching Kheng Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder Acta Crystallographica Section C 72(12) (2016) 971-980
Space group: P c c n
Cell volume: 4299.8
Cell parameters: 31.3604; 9.5095; 14.4182; 90; 90; 90;

COD ID: 2020674

Formula: - C31 H29 N O8 S4 -
Comments: Yang, Yunxia; Li, Lihua; Zhang, Li; Dong, Wenjing; Ding, Keying Three polymorphs of an inclusion compound of 2,2'-(disulfanediyl)dibenzoic acid and trimethylamine Acta Crystallographica Section C 72(12) (2016) 981-989
Space group: P 1 21/c 1
Cell volume: 3140.75
Cell parameters: 14.113; 12.2433; 18.8793; 90; 105.68; 90;

COD ID: 2020675
CIF file HKL data	Formula: - C68 H76 N4 O16 S8 - Comments: Yang, Yunxia; Li, Lihua; Zhang, Li; Dong, Wenjing; Ding, Keying Three polymorphs of an inclusion compound of 2,2'-(disulfanediyl)dibenzoic acid and trimethylamine Acta Crystallographica Section C 72(12) (2016) 981-989 Space group: C 1 2/c 1 Cell volume: 7083.9 Cell parameters: 31.7088; 11.5254; 23.2263; 90; 123.43; 90;

COD ID: 2020676
CIF file HKL data	Formula: - C17 H19 N O4 S2 - Comments: Yang, Yunxia; Li, Lihua; Zhang, Li; Dong, Wenjing; Ding, Keying Three polymorphs of an inclusion compound of 2,2'-(disulfanediyl)dibenzoic acid and trimethylamine Acta Crystallographica Section C 72(12) (2016) 981-989 Space group: C 1 2/c 1 Cell volume: 3602.39 Cell parameters: 13.5363; 12.1071; 22.1248; 90; 96.532; 90;

COD ID: 2020677

Formula: - C50 H80 Mg2 N4 O2 Si4 -
Comments: Rood, Jeffrey A.; Landis, Ashley M.; Forster, Daniel R.; Goldkamp, Timothy; Oliver, Allen G. Solvent dependence of the solid-state structures of salicylaldiminate magnesium amide complexes Acta Crystallographica Section C 72(12) (2016) 990-996
Space group: P -1
Cell volume: 1342.1
Cell parameters: 10.4898; 11.3067; 12.737; 76.033; 66.454; 81.772;

COD ID: 2020678

Formula: - C69 H91 Mg N5 O2 -
Comments: Rood, Jeffrey A.; Landis, Ashley M.; Forster, Daniel R.; Goldkamp, Timothy; Oliver, Allen G. Solvent dependence of the solid-state structures of salicylaldiminate magnesium amide complexes Acta Crystallographica Section C 72(12) (2016) 990-996
Space group: C 1 2/c 1
Cell volume: 6239.2
Cell parameters: 31.633; 13.4541; 17.467; 90; 122.934; 90;

COD ID: 2020679

Formula: - C20 H29 Cl N4 O7 S -
Comments: Beloborodova, Alina A.; Minkov, Vasily S.; Boldyreva, Elena V. A new solvate of furosemide with dimethylacetamide Acta Crystallographica Section C 72(12) (2016) 997-1001
Space group: P 1 21/c 1
Cell volume: 2375.5
Cell parameters: 17.0284; 7.8695; 22.0555; 90; 126.512; 90;

COD ID: 2020680

Formula: - C24 H26 N12 O5 Zn -
Comments: Liu, Chun-Li; Huang, Qiu-Ying; Meng, Xiang-Ru A one-dimensional zinc(II) coordination polymer with a three-dimensional supramolecular architecture incorporating 1-[(1H-benzimidazol-2-yl)methyl]-1H-tetrazole and adipate Acta Crystallographica Section C 72(12) (2016) 1002-1006
Space group: P b c n
Cell volume: 2717.4
Cell parameters: 13.861; 10.521; 18.634; 90; 90; 90;

COD ID: 2020681

Formula: - C8 H9 F3 I N O -
Comments: Lu, Norman; Alagesan, Mani; Ho, Chi-Liang; Wei, Rong-Jyun; Kung, Chih-Chieh; Chang, Jung-Shan; Wen, Yuh-Sheng; Liu, Ling-Kang New fluorous ponytailed 4-[(2,2,2-trifluoroethoxy)methyl]pyridinium halide salts Acta Crystallographica Section C 72(12) (2016) 1007-1011
Space group: P 1 21/n 1
Cell volume: 1057.19
Cell parameters: 7.8651; 9.2595; 14.7958; 90; 101.151; 90;

COD ID: 2020682

Formula: - C8 H9 Cl F3 N O -
Comments: Lu, Norman; Alagesan, Mani; Ho, Chi-Liang; Wei, Rong-Jyun; Kung, Chih-Chieh; Chang, Jung-Shan; Wen, Yuh-Sheng; Liu, Ling-Kang New fluorous ponytailed 4-[(2,2,2-trifluoroethoxy)methyl]pyridinium halide salts Acta Crystallographica Section C 72(12) (2016) 1007-1011
Space group: P b c a
Cell volume: 1985.16
Cell parameters: 9.2236; 13.5704; 15.86; 90; 90; 90;

COD ID: 2311850
CIF file Original IUCr paper	Formula: - C17 H36 N3 O P - Comments: Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie Syntheses and structures of four new mixed-amide phosphoric triamides. Acta crystallographica. Section C, Structural chemistry 72(Pt 3) (2016) 251-259 Space group: P 1 21 1 Cell volume: 3928.7 Cell parameters: 11.9879; 19.1972; 17.072; 90; 90.542; 90;

COD ID: 2311851
CIF file Original IUCr paper	Formula: - C20 H34 N3 O P - Comments: Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie Syntheses and structures of four new mixed-amide phosphoric triamides. Acta crystallographica. Section C, Structural chemistry 72(Pt 3) (2016) 251-259 Space group: P 1 21/c 1 Cell volume: 6331.3 Cell parameters: 10.9207; 24.0557; 24.3993; 90; 98.98; 90;

COD ID: 2311852
CIF file Original IUCr paper	Formula: - C19 H38 N3 O P2 - Comments: Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie Syntheses and structures of four new mixed-amide phosphoric triamides. Acta crystallographica. Section C, Structural chemistry 72(Pt 3) (2016) 251-259 Space group: P n a 21 Cell volume: 3994.9 Cell parameters: 21.9179; 8.9546; 20.3544; 90; 90; 90;

COD ID: 2311853
CIF file Original IUCr paper	Formula: - C12 H26 N3 O P - Comments: Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie Syntheses and structures of four new mixed-amide phosphoric triamides. Acta crystallographica. Section C, Structural chemistry 72(Pt 3) (2016) 251-259 Space group: P 21 21 21 Cell volume: 1511.5 Cell parameters: 6.3318; 10.3065; 23.1616; 90; 90; 90;

COD ID: 2311854

Formula: - C11 H9 N O2 -
Comments: Schirmer, Marie Luis; Spannenberg, Anke; Werner, Thomas Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (E)-3-benzylidenepyrrolidine-2,5-dione, (E)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (E)-3-benzylidene-1-tert-butylpyrrolidine-2,5-dione. Acta crystallographica. Section C, Structural chemistry 72(Pt 6) (2016) 504-508
Space group: P -1
Cell volume: 447.21
Cell parameters: 5.0425; 9.0386; 10.1045; 91.6608; 97.6593; 101.081;

COD ID: 2311855

Formula: - C12 H11 N O2 -
Comments: Schirmer, Marie Luis; Spannenberg, Anke; Werner, Thomas Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (E)-3-benzylidenepyrrolidine-2,5-dione, (E)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (E)-3-benzylidene-1-tert-butylpyrrolidine-2,5-dione. Acta crystallographica. Section C, Structural chemistry 72(Pt 6) (2016) 504-508
Space group: P 1 21/n 1
Cell volume: 993.27
Cell parameters: 7.5977; 18.2537; 8.0187; 90; 116.727; 90;

COD ID: 2311856

Formula: - C15 H17 N O2 -
Comments: Schirmer, Marie Luis; Spannenberg, Anke; Werner, Thomas Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (E)-3-benzylidenepyrrolidine-2,5-dione, (E)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (E)-3-benzylidene-1-tert-butylpyrrolidine-2,5-dione. Acta crystallographica. Section C, Structural chemistry 72(Pt 6) (2016) 504-508
Space group: P -1
Cell volume: 1285.74
Cell parameters: 10.2638; 12.1068; 12.2361; 63.3851; 85.277; 71.4797;

COD ID: 2311857