Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica Section C' volume of publication is 69
COD ID: 2018732 | |
CIF file | Formula: - C61 H65 La N6 O4 - Comments: Wang, Yu-Long; Feng, Meng; Tao, Xian; Tang, Qing-Yun; Shen, Ying-Zhong Two lanthanum(III) complexes containing η^2^-pyrazolate and η^2^-1,2,4-triazolate ligands: intramolecular C—H···N/O interactions and coordination geometries Acta Crystallographica Section C 69(1) (2013) 25-28 Space group: P 21 21 21 Cell volume: 5288.9 Cell parameters: 14.146; 16.358; 22.856; 90; 90; 90; |
COD ID: 2018733 | |
CIF file | Formula: - C54 H54 La N9 O3 - Comments: Wang, Yu-Long; Feng, Meng; Tao, Xian; Tang, Qing-Yun; Shen, Ying-Zhong Two lanthanum(III) complexes containing η^2^-pyrazolate and η^2^-1,2,4-triazolate ligands: intramolecular C—H···N/O interactions and coordination geometries Acta Crystallographica Section C 69(1) (2013) 25-28 Space group: P 1 21/c 1 Cell volume: 4873 Cell parameters: 11.531; 18.688; 23.827; 90; 108.38; 90; |
COD ID: 2018734 | |
CIF file | Formula: - C8 H9 Na O5 S - Comments: Díaz de Vivar, M. Enriqueta; Baggio, Sergio; Baggio, Ricardo An anisaldehyde sodium bisulfite derivative: poly[[μ~4~-(hydroxy)(4-methoxyphenyl)methanesulfonato]sodium] Acta Crystallographica Section C 69(1) (2013) 52-55 Space group: P 1 21/c 1 Cell volume: 975.8 Cell parameters: 16.649; 6.0854; 9.8244; 90; 101.365; 90; |
COD ID: 2018735 | |
CIF file | Formula: - C18 H21 N O3 Sn - Comments: Böhme, Uwe; Fels, Sabine Enantiomerically pure and racemic dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl-κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV) Acta Crystallographica Section C 69(1) (2013) 44-46 Space group: P 32 Cell volume: 1355.92 Cell parameters: 11.6246; 11.6246; 11.5864; 90; 90; 120; |
COD ID: 2018736 | |
CIF file | Formula: - C18 H21 N O3 Sn - Comments: Böhme, Uwe; Fels, Sabine Enantiomerically pure and racemic dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl-κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV) Acta Crystallographica Section C 69(1) (2013) 44-46 Space group: P -1 Cell volume: 842.97 Cell parameters: 8.3148; 8.6633; 12.432; 71.03; 87.44; 84.553; |
COD ID: 2018737 | |
CIF file | Formula: - C17 H10 F5 N5 O2 - Comments: Alvarez Thon, Luis; Bustos, Carlos; Diaz-Marín, Fernando; Garland, Maria Teresa; Baggio, Ricardo 3,5-Dimethyl-4-[(<i>E</i>)-(2-nitrophenyl)diazenyl]-1-(2,3,4,5,6-pentafluorophenyl)-1<i>H</i>-pyrazole Acta Crystallographica Section C 69(1) (2013) 101-104 Space group: P -1 Cell volume: 838.99 Cell parameters: 7.4932; 10.5834; 11.4141; 102.69; 100.459; 101.986; |
COD ID: 2018738 | |
CIF file | Formula: - C22 H30 Cu N4 O14 S2 - Comments: Haghjoo, Farhad; Pritchard, Robin Completing the bis[hydroxybis(pyridin-2-yl)methanesulfonato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>']<i>M</i>^II^ series (<i>M</i> = Mn to Zn) with the copper(II) and cobalt(II) structures Acta Crystallographica Section C 69(1) (2013) 21-24 Space group: P -1 Cell volume: 692.53 Cell parameters: 7.5892; 10.1399; 10.7325; 108.675; 109.92; 101.025; |
COD ID: 2018739 | |
CIF file | Formula: - C22 H18 Co N4 O8 S2 - Comments: Haghjoo, Farhad; Pritchard, Robin Completing the bis[hydroxybis(pyridin-2-yl)methanesulfonato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>']<i>M</i>^II^ series (<i>M</i> = Mn to Zn) with the copper(II) and cobalt(II) structures Acta Crystallographica Section C 69(1) (2013) 21-24 Space group: P 1 21/c 1 Cell volume: 1118.52 Cell parameters: 7.73; 9.3475; 15.6518; 90; 98.499; 90; |
COD ID: 2018740 | |
CIF file | Formula: - C38 H24 N10 Zn - Comments: Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo A new polymorph of bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridinido-κ<i>N</i>]zinc(II) Acta Crystallographica Section C 69(1) (2013) 47-51 Space group: P 43 21 2 Cell volume: 3247.93 Cell parameters: 9.7292; 9.7292; 34.3125; 90; 90; 90; |
COD ID: 2018741 | |
CIF file | Formula: - C20 H18 O6 - Comments: Negi, Devendra Singh; Negi, Nisha; Kumar, Ashok; Matsunami, Katsuyoshi; Schulz, Stefan; Jones, Peter G. (±)-Asarinin Acta Crystallographica Section C 69(1) (2013) 87-89 Space group: P -1 Cell volume: 783.22 Cell parameters: 6.5002; 10.8931; 11.8005; 103.793; 102.111; 95.836; |
COD ID: 2018742 | |
CIF file | Formula: - C10 H11 N3 O3 S - Comments: Elgemeie, Galal H.; Sayed, Shahinaz H.; Jones, Peter G. True symmetry or pseudosymmetry: 5-amino-1-(4-methylphenylsulfonyl)-4-pyrazolin-3-one and a comparison with its 1-phenylsulfonyl analogue Acta Crystallographica Section C 69(1) (2013) 90-92 Space group: P 1 21/c 1 Cell volume: 1104.64 Cell parameters: 11.9857; 7.9094; 11.6777; 90; 93.778; 90; |
COD ID: 2018743 | |
CIF file | Formula: - C9 H10 La N2 O9 - Comments: Chen, Wen-Xian; Liu, Qiu-Ping; Zhuang, Gui-Lin; Zhou, Sheng-Jun A novel La^III^-based metal‒organic framework (MOF) with a new topology: poly[diaquabis(μ~5~-2,5-dioxopiperazine-1,4-diacetato)(μ~2~-oxalato)dilanthanum(III)] Acta Crystallographica Section C 69(1) (2013) 5-7 Space group: P 1 2/n 1 Cell volume: 1244.7 Cell parameters: 13.022; 4.9269; 19.42; 90; 92.54; 90; |
COD ID: 2018744 | |
CIF file | Formula: - C24 H18 Br2 N2 S2 - Comments: Abboud, Mohamed; Mamane, Victor; Aubert, Emmanuel Energetic analysis of the molecular packing of 5,5'-dibromo-2,2'-bis[4-(methylsulfanyl)phenyl]-4,4'-bipyridine: the role of π‒π and halogen interactions Acta Crystallographica Section C 69(1) (2013) 56-60 Space group: C 1 2/c 1 Cell volume: 2165.51 Cell parameters: 21.4175; 5.9779; 17.6539; 90; 106.648; 90; |
COD ID: 2018745 | |
CIF file | Formula: - C10 H19 N5 O3 S - Comments: Hützler, Wilhelm Maximilian; Bolte, Michael Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds Acta Crystallographica Section C 69(1) (2013) 93-100 Space group: P -1 Cell volume: 1458.2 Cell parameters: 8.0894; 12.037; 15.39; 89.774; 89.466; 76.691; |
COD ID: 2018746 | |
CIF file | Formula: - C8 H14 N4 O2 S - Comments: Hützler, Wilhelm Maximilian; Bolte, Michael Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds Acta Crystallographica Section C 69(1) (2013) 93-100 Space group: P 1 21/n 1 Cell volume: 1152 Cell parameters: 9.4615; 9.2679; 13.4208; 90; 101.801; 90; |
COD ID: 2018747 | |
CIF file | Formula: - C20 H37 N9 O5 S2 - Comments: Hützler, Wilhelm Maximilian; Bolte, Michael Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds Acta Crystallographica Section C 69(1) (2013) 93-100 Space group: P c a 21 Cell volume: 2764.4 Cell parameters: 15.2133; 7.4335; 24.445; 90; 90; 90; |
COD ID: 2018748 | |
CIF file | Formula: - C23 H37 N9 O5 S2 - Comments: Hützler, Wilhelm Maximilian; Bolte, Michael Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds Acta Crystallographica Section C 69(1) (2013) 93-100 Space group: P c a 21 Cell volume: 2895.4 Cell parameters: 15.2293; 7.5483; 25.1871; 90; 90; 90; |
COD ID: 2018749 | |
CIF file | Formula: - C23 H37 N9 O5 S2 - Comments: Hützler, Wilhelm Maximilian; Bolte, Michael Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds Acta Crystallographica Section C 69(1) (2013) 93-100 Space group: P b c a Cell volume: 5820.2 Cell parameters: 7.5509; 15.2328; 50.601; 90; 90; 90; |
COD ID: 2018750 | |
CIF file | Formula: - C14 H17 N O5 - Comments: Ilangovan, Andivelu; Venkatesan, Perumal; Ganesh Kumar, Rajendran Hydrogen bonding due to regioisomerism and its effect on the supramolecular architecture of diethyl 2-[(2/4-hydroxyanilino)methylidene]malonates Acta Crystallographica Section C 69(1) (2013) 70-73 Space group: P b c m Cell volume: 1453.54 Cell parameters: 11.3011; 19.276; 6.6725; 90; 90; 90; |
COD ID: 2018751 | |
CIF file | Formula: - C14 H17 N O5 - Comments: Ilangovan, Andivelu; Venkatesan, Perumal; Ganesh Kumar, Rajendran Hydrogen bonding due to regioisomerism and its effect on the supramolecular architecture of diethyl 2-[(2/4-hydroxyanilino)methylidene]malonates Acta Crystallographica Section C 69(1) (2013) 70-73 Space group: P 1 21/n 1 Cell volume: 1424.5 Cell parameters: 10.997; 10.8919; 12.3244; 90; 105.206; 90; |
COD ID: 2018752 | |
CIF file | Formula: - Ge4 Li1.03 Sm3.97 - Comments: Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> σimeq 1) with the orthorhombic Gd~5~Si~4~ type Acta Crystallographica Section C 69(1) (2013) 1-4 Space group: P n m a Cell volume: 855.2 Cell parameters: 7.2846; 14.938; 7.8594; 90; 90; 90; |
COD ID: 2018753 | |
CIF file | Formula: - Ge4 Li1.03 Nd3.97 - Comments: Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> σimeq 1) with the orthorhombic Gd~5~Si~4~ type Acta Crystallographica Section C 69(1) (2013) 1-4 Space group: P n m a Cell volume: 882.6 Cell parameters: 7.3649; 15.092; 7.9406; 90; 90; 90; |
COD ID: 2018754 | |
CIF file | Formula: - Gd3.96 Ge4 Li1.04 - Comments: Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> σimeq 1) with the orthorhombic Gd~5~Si~4~ type Acta Crystallographica Section C 69(1) (2013) 1-4 Space group: P n m a Cell volume: 827.2 Cell parameters: 7.188; 14.816; 7.767; 90; 90; 90; |
COD ID: 2018755 | |
CIF file | Formula: - C12 H32 I K N4 O10 - Comments: Fleck, Michel; Ghazaryan, Vahram V.; Petrosyan, Aram M. Diaquaiodidotetrasarcosinepotassium: an overview of sarcosine metal halogenide structures Acta Crystallographica Section C 69(1) (2013) 11-16 Space group: C 1 2/c 1 Cell volume: 2343 Cell parameters: 13.714; 22.799; 8.0786; 90; 111.94; 90; |
COD ID: 2018756 | |
CIF file | Formula: - C14 H10 N2 O5 Zn - Comments: Liu, Lei-Lei; Zhao, Feng Poly[aqua[μ~4~-3,3'-(diazenediyl)dibenzoato]zinc] Acta Crystallographica Section C 69(1) (2013) 29-32 Space group: P 1 2/c 1 Cell volume: 660.9 Cell parameters: 14.424; 6.3401; 7.234; 90; 92.51; 90; |
COD ID: 2018757 | |
CIF file | Formula: - C11 H19 N O6 - Comments: Wojewska, Dominika; Kluczyk, Alicja; Ślepokura, Katarzyna Geometric changes around an N atom due to a urethane-type bis(<i>tert</i>-butoxycarbonyl) substituent Acta Crystallographica Section C 69(1) (2013) 82-86 Space group: P 1 21 1 Cell volume: 647.9 Cell parameters: 9.219; 5.815; 12.263; 90; 99.74; 90; |
COD ID: 2018758 | |
CIF file | Formula: - C16 H27 N O8 - Comments: Wojewska, Dominika; Kluczyk, Alicja; Ślepokura, Katarzyna Geometric changes around an N atom due to a urethane-type bis(<i>tert</i>-butoxycarbonyl) substituent Acta Crystallographica Section C 69(1) (2013) 82-86 Space group: P 21 21 21 Cell volume: 1884.4 Cell parameters: 5.922; 9.635; 33.026; 90; 90; 90; |
COD ID: 2018759 | |
CIF file | Formula: - C H K3 Mo2 O13 - Comments: Takehara, Masaki; Hashimoto, Masato Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)] Acta Crystallographica Section C 69(1) (2013) 37-40 Space group: P c a 21 Cell volume: 1088.8 Cell parameters: 11.147; 5.985; 16.32; 90; 90; 90; |
COD ID: 2018760 | |
CIF file | Formula: - C H Mo2 O13 Rb3 - Comments: Takehara, Masaki; Hashimoto, Masato Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)] Acta Crystallographica Section C 69(1) (2013) 37-40 Space group: P c a 21 Cell volume: 1184.6 Cell parameters: 11.472; 6.208; 16.633; 90; 90; 90; |
COD ID: 2018761 | |
CIF file | Formula: - C H13 Mo2 N3 O13 - Comments: Takehara, Masaki; Hashimoto, Masato Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)] Acta Crystallographica Section C 69(1) (2013) 37-40 Space group: P b c m Cell volume: 1189.3 Cell parameters: 6.091; 11.622; 16.8; 90; 90; 90; |
COD ID: 2018762 | |
CIF file | Formula: - C38 H38 N12 O12 Zn - Comments: Li, Fa-Zhan; Li, Guo-Ting <i>catena</i>-Poly[[[diaquazinc]-bis{μ-<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide}] dinitrate] Acta Crystallographica Section C 69(1) (2013) 33-36 Space group: P -1 Cell volume: 984.9 Cell parameters: 8.8956; 10.161; 11.233; 77.14; 86.51; 84.8; |
COD ID: 2018763 | |
CIF file | Formula: - C2 H2 O4 Pb - Comments: Lanza, Arianna; Gambirasi, Arianna; Favaro, Monica; Peruzzo, Luca; Chiurato, Matteo; Nestola, Fabrizio Re-investigation of lead(II) formate Acta Crystallographica Section C 69(1) (2013) 41-43 Space group: P 21 21 21 Cell volume: 423.92 Cell parameters: 6.5227; 7.4153; 8.7646; 90; 90; 90; |
COD ID: 2018764 | |
CIF file | Formula: - C24 H16 Cu2 N6 O4 - Comments: Cai, Hua; Guo, Ying; Li, Jian-Gang Controllable assembly of a three-dimensional metal‒organic supramolecular framework including π‒π stacking interactions Acta Crystallographica Section C 69(1) (2013) 8-10 Space group: P 1 21/c 1 Cell volume: 2222.6 Cell parameters: 7.752; 20.566; 14.141; 90; 99.639; 90; |
COD ID: 2018765 | |
CIF file | Formula: - C14 H11 Cl N2 O4 - Comments: Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher Hydrogen-bonded sheet structures in methyl 4-(4-chloroanilino)-3-nitrobenzoate and methyl 1-benzyl-2-(4-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate Acta Crystallographica Section C 69(1) (2013) 77-81 Space group: P 1 21/c 1 Cell volume: 1376.1 Cell parameters: 12.4413; 15.8116; 7.1805; 90; 103.037; 90; |
COD ID: 2018766 | |
CIF file | Formula: - C22 H17 Cl N2 O2 - Comments: Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher Hydrogen-bonded sheet structures in methyl 4-(4-chloroanilino)-3-nitrobenzoate and methyl 1-benzyl-2-(4-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate Acta Crystallographica Section C 69(1) (2013) 77-81 Space group: P 1 21/c 1 Cell volume: 1822.9 Cell parameters: 14.214; 11.7391; 11.058; 90; 98.908; 90; |
COD ID: 2018767 | |
CIF file | Formula: - C6 H9 N3 O3 - Comments: Yan, Xing-Chen; Fan, Yu-Hua; Bi, Cai-Feng; Zhang, Xia; Zhang, Zhong-Yu An amino‒imino resonance study of 2-amino-4-methylpyridinium nitrate and 2-amino-5-methylpyridinium nitrate Acta Crystallographica Section C 69(1) (2013) 61-65 Space group: P b c a Cell volume: 1650.6 Cell parameters: 8.415; 12.8669; 15.2441; 90; 90; 90; |
COD ID: 2018768 | |
CIF file | Formula: - C88 H68 Cd4 Cl4 N12 O34 - Comments: Liu, Ming-Liang; Ye, Qiong A tetranuclear cadmium(II) complex based on the 2-(quinolin-8-yloxy)acetonitrile ligand Acta Crystallographica Section C 69(1) (2013) 17-20 Space group: I -4 Cell volume: 9128 Cell parameters: 27.838; 27.838; 11.779; 90; 90; 90; |
COD ID: 2018769 | |
CIF file | Formula: - C17 H21 N3 O S - Comments: Insuasty, Alberto; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher (<i>Z</i>)-5-[4-(Dimethylamino)benzylidene]-2-(piperidin-1-yl)-1,3-thiazolidin-4(5<i>H</i>)-one Acta Crystallographica Section C 69(1) (2013) 74-76 Space group: P 1 21/n 1 Cell volume: 1577.9 Cell parameters: 12.7125; 7.8246; 16.579; 90; 106.904; 90; |
COD ID: 2018770 | |
CIF file | Formula: - Ca10 Cr7 O28 - Comments: Gyepesová, Dalma; Langer, Vratislav Ca~10~(Cr^V^O~4~)~6~(Cr^VI^O~4~), a disordered mixed-valence chromium compound exhibiting inversion twinning Acta Crystallographica Section C 69(2) (2013) 111-113 Space group: R 3 c :H Cell volume: 3816.02 Cell parameters: 10.758; 10.758; 38.073; 90; 90; 120; |
COD ID: 2018771 | |
CIF file | Formula: - Ba Co3 H2 O10 V2 - Comments: Dordević, Tamara; Karanović, Ljiljana Ba[Co~3~(VO~4~)~2~(OH)~2~] with a regular Kagomé lattice Acta Crystallographica Section C 69(2) (2013) 114-118 Space group: R -3 m :H Cell volume: 638.07 Cell parameters: 5.921; 5.921; 21.016; 90; 90; 120; |
COD ID: 2018772 | |
CIF file | Formula: - C12 H32 N2 O3 S2 - Comments: Okuniewski, Andrzej; Chojnacki, Jaroslaw; Baranowska, Katarzyna; Becker, Barbara Bis(diisopropylammonium) thiosulfate and bis(<i>tert</i>-butylammonium) thiosulfate Acta Crystallographica Section C 69(2) (2013) 195-198 Space group: P 1 21/n 1 Cell volume: 1792.3 Cell parameters: 8.6437; 9.5322; 21.8594; 90; 95.657; 90; |
COD ID: 2018773 | |
CIF file | Formula: - C8 H24 N2 O3 S2 - Comments: Okuniewski, Andrzej; Chojnacki, Jaroslaw; Baranowska, Katarzyna; Becker, Barbara Bis(diisopropylammonium) thiosulfate and bis(<i>tert</i>-butylammonium) thiosulfate Acta Crystallographica Section C 69(2) (2013) 195-198 Space group: P 1 21/n 1 Cell volume: 2879.2 Cell parameters: 11.7834; 12.3519; 19.9312; 90; 97.017; 90; |
COD ID: 2018774 | |
CIF file | Formula: - C10 H16 N2 O3 S - Comments: Altaf, Muhammad; Stoeckli-Evans, Helen Chiral one- and two-dimensional silver(I)‒biotin coordination polymers Acta Crystallographica Section C 69(2) (2013) 127-137 Space group: P 21 21 21 Cell volume: 1120.9 Cell parameters: 5.1955; 10.3017; 20.943; 90; 90; 90; |
COD ID: 2018775 | |
CIF file | Formula: - C10 H21 Ag N2 O6 S - Comments: Altaf, Muhammad; Stoeckli-Evans, Helen Chiral one- and two-dimensional silver(I)‒biotin coordination polymers Acta Crystallographica Section C 69(2) (2013) 127-137 Space group: P 1 21 1 Cell volume: 714.12 Cell parameters: 8.7869; 8.2847; 9.8588; 90; 95.718; 90; |
COD ID: 2018776 | |
CIF file | Formula: - C20 H34 Ag2 N6 O13 S2 - Comments: Altaf, Muhammad; Stoeckli-Evans, Helen Chiral one- and two-dimensional silver(I)‒biotin coordination polymers Acta Crystallographica Section C 69(2) (2013) 127-137 Space group: C 1 2 1 Cell volume: 2925.6 Cell parameters: 21.8568; 8.0321; 16.8886; 90; 99.337; 90; |
COD ID: 2018777 | |
CIF file | Formula: - C20 H32 Ag F6 N4 O6 P S2 - Comments: Altaf, Muhammad; Stoeckli-Evans, Helen Chiral one- and two-dimensional silver(I)‒biotin coordination polymers Acta Crystallographica Section C 69(2) (2013) 127-137 Space group: P 1 21 1 Cell volume: 4159.8 Cell parameters: 15.113; 9.6028; 28.667; 90; 90.946; 90; |
COD ID: 2018778 | |
CIF file | Formula: - C20 H32 Ag F6 N4 O6 S2 Sb - Comments: Altaf, Muhammad; Stoeckli-Evans, Helen Chiral one- and two-dimensional silver(I)‒biotin coordination polymers Acta Crystallographica Section C 69(2) (2013) 127-137 Space group: P 1 21 1 Cell volume: 1399 Cell parameters: 9.6902; 14.6452; 9.8604; 90; 91.167; 90; |
COD ID: 2018779 | |
CIF file | Formula: - C8 H4 Cl N O2 Te - Comments: Watkins, Jennifer M.; Fronczek, Frank R.; Zehnder, Ralph A.; Junk, Thomas 1-Chlorofuro[3,2-<i>e</i>][2,1,3]benzoxatellurazole Acta Crystallographica Section C 69(2) (2013) 156-157 Space group: P 1 21/c 1 Cell volume: 868.5 Cell parameters: 9.9504; 8.849; 10.0077; 90; 99.731; 90; |
COD ID: 2018780 | |
CIF file | Formula: - C7 H6 B N O3 - Comments: Sarina, Evan A.; Olmstead, Marilyn M.; Nguyen, Dung N.; Groziak, Michael P. 1-Hydroxy-1<i>H</i>-benzo[<i>d</i>][1,2,6]oxazaborinin-4(3<i>H</i>)-one Acta Crystallographica Section C 69(2) (2013) 183-185 Space group: P 1 21/c 1 Cell volume: 704.17 Cell parameters: 9.0848; 6.2043; 13.1207; 90; 107.792; 90; |
COD ID: 2018781 | |
CIF file | Formula: - C36 H53 N7 O6 - Comments: Gelbrich, Thomas; Kahlenberg, Volker; Langes, Christoph; Griesser, Ulrich J. Telaprevir: helical chains based on three-point hydrogen-bond connections Acta Crystallographica Section C 69(2) (2013) 179-182 Space group: P 21 21 21 Cell volume: 7449.47 Cell parameters: 10.4235; 19.1651; 37.2907; 90; 90; 90; |
COD ID: 2018782 | |
CIF file | Formula: - C31 H26 N11 O7.5 S3 Zn12 - Comments: Oliveira, F. L.; Huber, P. C.; Almeida, W. P.; Sabino, J. R.; Aparicio, R. Tris[2-(1,3-thiazol-2-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]zinc(II) dinitrate ethanol hemisolvate monohydrate at~100K Acta Crystallographica Section C 69(2) (2013) 119-122 Space group: P -1 Cell volume: 1733.76 Cell parameters: 10.4687; 12.8659; 13.8539; 83.28; 84.374; 69.611; |
COD ID: 2018783 | |
CIF file | Formula: - C14 H8 Cl2 - Comments: Müller, Peter; Fronczek, Frank R.; Smith, Stacey J.; Mako, Teresa; Levine, Mindy Two polymorphs of 1,8-dichloroanthracene Acta Crystallographica Section C 69(2) (2013) 199-203 Space group: P 1 21/c 1 Cell volume: 1060.25 Cell parameters: 19.007; 3.8621; 15.137; 90; 107.41; 90; |
COD ID: 2018784 | |
CIF file | Formula: - C14 H8 Cl2 - Comments: Müller, Peter; Fronczek, Frank R.; Smith, Stacey J.; Mako, Teresa; Levine, Mindy Two polymorphs of 1,8-dichloroanthracene Acta Crystallographica Section C 69(2) (2013) 199-203 Space group: P n a 21 Cell volume: 1070.9 Cell parameters: 15.331; 3.8621; 18.087; 90; 90; 90; |
COD ID: 2018785 | |
CIF file | Formula: - Cu1.92 O12 P3 Sc Zr - Comments: Bond, Andrew D.; Warner, Terence E. Copper scandium zirconium phosphate: occupancy of the <i>M</i>1 and <i>M</i>2 sites in the temperature range 100‒300K Acta Crystallographica Section C 69(2) (2013) 105-110 Space group: R -3 c :H Cell volume: 1523.28 Cell parameters: 8.9266; 8.9266; 22.0738; 90; 90; 120; |
COD ID: 2018786 | |
CIF file | Formula: - Cu1.92 O12 P3 Sc Zr - Comments: Bond, Andrew D.; Warner, Terence E. Copper scandium zirconium phosphate: occupancy of the <i>M</i>1 and <i>M</i>2 sites in the temperature range 100‒300K Acta Crystallographica Section C 69(2) (2013) 105-110 Space group: R -3 c :H Cell volume: 1527.19 Cell parameters: 8.9344; 8.9344; 22.0918; 90; 90; 120; |
COD ID: 2018787 | |
CIF file | Formula: - Cu1.92 O12 P3 Sc Zr - Comments: Bond, Andrew D.; Warner, Terence E. Copper scandium zirconium phosphate: occupancy of the <i>M</i>1 and <i>M</i>2 sites in the temperature range 100‒300K Acta Crystallographica Section C 69(2) (2013) 105-110 Space group: R -3 c :H Cell volume: 1521 Cell parameters: 8.9206; 8.9206; 22.071; 90; 90; 120; |
COD ID: 2018788 | |
CIF file | Formula: - C10 H10 Cl10 Hg3 N2 - Comments: Jin, Lei; Wu, De-Hong Poly[bis(4-chloropyridinium) tetra-μ~2~-chlorido-tetrachloridotrimercurate(II)] Acta Crystallographica Section C 69(2) (2013) 142-145 Space group: P -1 Cell volume: 601.6 Cell parameters: 4.1792; 11.618; 13.238; 70.44; 83.71; 89.91; |
COD ID: 2018789 | |
CIF file | Formula: - C20 H30 O2 - Comments: Domasevitch, Konstantin V. 1,1'-Biadamantane-3,3'-diol: a two-dimensional network supported by a `hexameric alcohol cluster' supramolecular synthon Acta Crystallographica Section C 69(2) (2013) 175-178 Space group: P -1 Cell volume: 1205.7 Cell parameters: 11.3855; 11.3863; 11.5351; 62.22; 81.596; 65.878; |
COD ID: 2018790 | |
CIF file | Formula: - C13 H10 Br N3 O3 - Comments: Gomes, Ligia R.; Low, John Nicolson; Wardell, James L. Contrasting the supramolecular structures in the isomeric pair 5-bromo-3-nitrosalicylaldehyde phenylhydrazone and 3-bromo-5-nitrosalicylaldehyde phenylhydrazone Acta Crystallographica Section C 69(2) (2013) 150-155 Space group: P 1 21/n 1 Cell volume: 2643 Cell parameters: 8.517; 21.699; 14.301; 90; 90.31; 90; |
COD ID: 2018791 | |
CIF file | Formula: - C13 H10 Br N3 O3 - Comments: Gomes, Ligia R.; Low, John Nicolson; Wardell, James L. Contrasting the supramolecular structures in the isomeric pair 5-bromo-3-nitrosalicylaldehyde phenylhydrazone and 3-bromo-5-nitrosalicylaldehyde phenylhydrazone Acta Crystallographica Section C 69(2) (2013) 150-155 Space group: P -1 Cell volume: 1285.2 Cell parameters: 7.9022; 11.7662; 14.917; 68.971; 83.143; 88.375; |
COD ID: 2018792 | |
CIF file | Formula: - C60 H70 Co2 N12 O23 V4 - Comments: Zhang, Ke; Liang, Da-Dong; Wang, Ming-Hui; Liu, Yan; Luan, Guo-You Bis[tris(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] <i>cyclo</i>-tetravanadate undecahydrate Acta Crystallographica Section C 69(2) (2013) 138-141 Space group: C 1 2/c 1 Cell volume: 7044.5 Cell parameters: 21.965; 14.003; 23.836; 90; 106.08; 90; |
COD ID: 2018793 | |
CIF file | Formula: - C6 H5 N3 O - Comments: Novotná, Radka; Trávníček, Zdeněk Infinite ladder-like chains organized into a three-dimensional zigzag supramolecular architecture in 9-deazahypoxanthine Acta Crystallographica Section C 69(2) (2013) 158-161 Space group: P 1 21/n 1 Cell volume: 593.3 Cell parameters: 4.8315; 19.976; 6.3551; 90; 104.69; 90; |
COD ID: 2018794 | |
CIF file | Formula: - C10 H8 Cu I N4 - Comments: Huang, Wenjiang; Zhang, Jinfang; Li, Jianghua; Zhang, Chi A twofold interwoven two-dimensional→two-dimensional (2-D→2-D) cluster‒organic network based on the [Cu~2~I~2~] cluster and the 4,4'-(diazenediyl)dipyridine ligand: poly[[μ~2~-4,4'-(diazenediyl)dipyridine]-μ~2~-iodido-copper(I)] Acta Crystallographica Section C 69(2) (2013) 123-126 Space group: P 1 2/c 1 Cell volume: 1193.6 Cell parameters: 9.7137; 8.0745; 15.396; 90; 98.73; 90; |
COD ID: 2018795 | |
CIF file | Formula: - C12 H10 Cl N O - Comments: Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Cardoso, Laura N.; De Souza, Marcus V. N. Substituted 4-alkoxy-7-Cl-quinolines exhibiting π‒π stacking Acta Crystallographica Section C 69(2) (2013) 191-194 Space group: P 21 21 21 Cell volume: 1013 Cell parameters: 3.937; 11.977; 21.482; 90; 90; 90; |
COD ID: 2018796 | |
CIF file | Formula: - C10 H8 Cl N O - Comments: Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Cardoso, Laura N.; De Souza, Marcus V. N. Substituted 4-alkoxy-7-Cl-quinolines exhibiting π‒π stacking Acta Crystallographica Section C 69(2) (2013) 191-194 Space group: P 1 21/n 1 Cell volume: 850.02 Cell parameters: 3.812; 10.9801; 20.348; 90; 93.591; 90; |
COD ID: 2018797 | |
CIF file | Formula: - C11 H10 Cl N O - Comments: Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Cardoso, Laura N.; De Souza, Marcus V. N. Substituted 4-alkoxy-7-Cl-quinolines exhibiting π‒π stacking Acta Crystallographica Section C 69(2) (2013) 191-194 Space group: P 1 21/n 1 Cell volume: 983 Cell parameters: 3.932; 11.98; 20.86; 90; 90.56; 90; |
COD ID: 2018798 | |
CIF file | Formula: - C26 H44 Br2 O2 - Comments: Fonrouge, Ana; Cecchi, Florencia; Alborés, Pablo; Baggio, Ricardo; Cukiernik, Fabio D. Relative influence of noncovalent interactions on the melting points of a homologous series of 1,2-dibromo-4,5-dialkoxybenzenes Acta Crystallographica Section C 69(2) (2013) 204-208 Space group: C 1 2/c 1 Cell volume: 5366.7 Cell parameters: 67.0788; 4.4717; 18.2399; 90; 101.216; 90; |
COD ID: 2018799 | |
CIF file | Formula: - C38 H68 Br2 O2 - Comments: Fonrouge, Ana; Cecchi, Florencia; Alborés, Pablo; Baggio, Ricardo; Cukiernik, Fabio D. Relative influence of noncovalent interactions on the melting points of a homologous series of 1,2-dibromo-4,5-dialkoxybenzenes Acta Crystallographica Section C 69(2) (2013) 204-208 Space group: C 1 c 1 Cell volume: 3867.8 Cell parameters: 50.158; 8.36; 9.248; 90; 94.136; 90; |
COD ID: 2018800 | |
CIF file | Formula: - C10 H32 Cl4 N10 O16 Pt2 S2 - Comments: Ozawa, Yoshiki; Kim, Misa; Toriumi, Koshiro A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](μ-SCN)[Pt^IV^(en)~2~](μ-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine) Acta Crystallographica Section C 69(2) (2013) 146-149 Space group: P -1 Cell volume: 730.11 Cell parameters: 9.0535; 9.6033; 9.6034; 104.944; 91.574; 113.765; |
COD ID: 2018801 | |
CIF file | Formula: - C6 H19 Cl2 N6 O9.5 Pt S2 - Comments: Ozawa, Yoshiki; Kim, Misa; Toriumi, Koshiro A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](μ-SCN)[Pt^IV^(en)~2~](μ-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine) Acta Crystallographica Section C 69(2) (2013) 146-149 Space group: C 1 2 1 Cell volume: 1885.9 Cell parameters: 30.515; 8.3572; 7.443; 90; 96.507; 90; |
COD ID: 2018802 | |
CIF file | Formula: - C16 H19 N5 O3 - Comments: Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions Acta Crystallographica Section C 69(2) (2013) 162-171 Space group: P -1 Cell volume: 808.5 Cell parameters: 7.399; 9.609; 12.449; 73.3; 82.68; 72.693; |
COD ID: 2018803 | |
CIF file | Formula: - C14 H16 N6 O2 - Comments: Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions Acta Crystallographica Section C 69(2) (2013) 162-171 Space group: C 1 2/c 1 Cell volume: 2860.3 Cell parameters: 20.045; 8.6868; 17.99; 90; 114.064; 90; |
COD ID: 2018804 | |
CIF file | Formula: - C17 H21 N5 O3 - Comments: Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions Acta Crystallographica Section C 69(2) (2013) 162-171 Space group: C 1 2/c 1 Cell volume: 3403.5 Cell parameters: 16.707; 10.218; 20.733; 90; 105.929; 90; |
COD ID: 2018805 | |
CIF file | Formula: - C16 H19 N5 O3 - Comments: Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions Acta Crystallographica Section C 69(2) (2013) 162-171 Space group: P 1 21/c 1 Cell volume: 1633.3 Cell parameters: 15.636; 6.5674; 17.336; 90; 113.44; 90; |
COD ID: 2018806 | |
CIF file | Formula: - C18 H23 N5 O3 - Comments: Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions Acta Crystallographica Section C 69(2) (2013) 162-171 Space group: C 1 2/c 1 Cell volume: 3504.9 Cell parameters: 24.8226; 7.1379; 20.601; 90; 106.213; 90; |
COD ID: 2018807 | |
CIF file | Formula: - C15 H23 N5 O3 - Comments: Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions Acta Crystallographica Section C 69(2) (2013) 162-171 Space group: P -1 Cell volume: 781.2 Cell parameters: 8.04; 10.391; 10.458; 109.16; 98.19; 103.1; |
COD ID: 2018808 | |
CIF file | Formula: - C50 H58 Cl4 N6 O12 - Comments: Freire, Eleonora; Polla, Griselda; Baggio, Ricardo Aripiprazole salts. III. Bis(aripiprazolium) oxalate‒oxalic acid (1/1) Acta Crystallographica Section C 69(2) (2013) 186-190 Space group: P -1 Cell volume: 1288.2 Cell parameters: 7.9609; 11.2732; 15.8323; 101.794; 95.41; 109.767; |
COD ID: 2018809 | |
CIF file | Formula: - C11 H9 F3 N4 O2 - Comments: Portilla, Jaime; Ontiveros, Ina; Cobo, Justo; Glidewell, Christopher 5-Methyl-<i>N</i>-[2-nitro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole-3-amine: a chain of hydrogen-bonded <i>R</i>~2~^2^(6) and <i>R</i>~2~^2^(16) rings Acta Crystallographica Section C 69(2) (2013) 172-174 Space group: P -1 Cell volume: 581.8 Cell parameters: 4.957; 8.737; 13.562; 93.22; 97.02; 91.05; |
COD ID: 2018810 | |
CIF file | Formula: - C5 H10 N2 O7 P2 - Comments: Chernyshev, Vladimir V.; Shkavrov, Sergey V.; Paseshnichenko, Ksenia A.; Puryaeva, Tamara P.; Velikodny, Yurii A. Zoledronic acid: monoclinic and triclinic polymorphs from powder diffraction data Acta Crystallographica Section C 69(3) (2013) 263-266 Space group: P 1 21/c 1 Cell volume: 1001.5 Cell parameters: 6.8162; 10.6307; 13.924; 90; 96.954; 90; |
COD ID: 2018811 | |
CIF file | Formula: - C5 H10 N2 O7 P2 - Comments: Chernyshev, Vladimir V.; Shkavrov, Sergey V.; Paseshnichenko, Ksenia A.; Puryaeva, Tamara P.; Velikodny, Yurii A. Zoledronic acid: monoclinic and triclinic polymorphs from powder diffraction data Acta Crystallographica Section C 69(3) (2013) 263-266 Space group: P -1 Cell volume: 475.33 Cell parameters: 8.4217; 8.6039; 8.1818; 92.778; 112.415; 116.072; |
COD ID: 2018812 | |
CIF file | Formula: - C19 H16 O7 - Comments: Karmakar, Anirban; Platero-Prats, Ana E.; Öhrström, Lars A new methanol solvate and Hirshfeld analysis of π-stacking in 2,3,6,7,10,11-hexahydroxytriphenylene solvates Acta Crystallographica Section C 69(3) (2013) 251-254 Space group: P -1 Cell volume: 758.6 Cell parameters: 7.5894; 10.55; 11.238; 62.88; 71.89; 77.782; |
COD ID: 2018813 | |
CIF file | Formula: - C19 Cl15 - Comments: Guasch, Judith; Fontrodona, Xavier; Ratera, Imma; Rovira, Concepció; Veciana, Jaume The perchlorotriphenylmethyl (PTM) radical Acta Crystallographica Section C 69(3) (2013) 255-257 Space group: C 1 2/c 1 Cell volume: 2700 Cell parameters: 13.718; 11.542; 17.946; 90; 108.134; 90; |
COD ID: 2018814 | |
CIF file | Formula: - C36 H46 Co N8 O10 - Comments: Nazarenko, Olga M.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V. Cobalt(II) and cadmium(II) square grids supported with 4,4'-bipyrazole and accommodating 3-carboxyadamantane-1-carboxylate Acta Crystallographica Section C 69(3) (2013) 232-236 Space group: P -1 Cell volume: 916.32 Cell parameters: 10.0002; 10.1568; 10.2186; 89.906; 66.363; 75.805; |
COD ID: 2018815 | |
CIF file | Formula: - C36 H46 Cd N8 O10 - Comments: Nazarenko, Olga M.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V. Cobalt(II) and cadmium(II) square grids supported with 4,4'-bipyrazole and accommodating 3-carboxyadamantane-1-carboxylate Acta Crystallographica Section C 69(3) (2013) 232-236 Space group: C 1 2/c 1 Cell volume: 3860.8 Cell parameters: 14.5363; 14.9862; 18.3813; 90; 105.384; 90; |
COD ID: 2018816 | |
CIF file | Formula: - C38 H98 Cl2 Mn N10 O10 P4 - Comments: Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Fejfarová, Karla; Dušek, Michal A novel amido‒pyrophosphate Mn^II^ chelate complex with the synthetic ligand O{P(O)[NHC(CH~3~)~3~]~2~}~2~ (<i>L</i>): [Mn(<i>L</i>)~2~{OC(H)N(CH~3~)~2~}~2~]Cl~2~·2H~2~O Acta Crystallographica Section C 69(3) (2013) 225-228 Space group: P -1 Cell volume: 1477.67 Cell parameters: 10.978; 12.7452; 12.7755; 63.131; 68.173; 83.141; |
COD ID: 2018817 | |
CIF file | Formula: - C32 H52.68 Co4 N24 O24.35 - Comments: Atria, Ana María; Parada, José; Garland, Maria Teresa; Baggio, Ricardo A polymeric cobalt(II) complex derived from citric acid (H~4~cit) and 2,6-diaminopurine (dap): {[Co~4~(cit)~2~(dap)~4~(H~2~O)~4~]·6.35H~2~O}~<i>n~</i> Acta Crystallographica Section C 69(3) (2013) 212-215 Space group: C 1 2/c 1 Cell volume: 4877.3 Cell parameters: 10.548; 18.669; 24.795; 90; 92.687; 90; |
COD ID: 2018818 | |
CIF file | Formula: - C13 H14 N2 O7 - Comments: Fu, Ying; He, Yin-Xia; Hou, Hong-Xia; Zhu, Wen-Bo; Li, Hu-Lin; Wu, Chao; Xian, Fang-Yan 2,2'-Anhydro-1-(3',5'-di-<i>O</i>-acetyl-β-<small>D</small>-arabinofuranosyl)uracil, a cyclouridine nucleoside with a C4'-<i>endo</i> furanosyl conformation Acta Crystallographica Section C 69(3) (2013) 282-284 Space group: P 1 21 1 Cell volume: 719.21 Cell parameters: 8.1032; 10.0065; 8.8704; 90; 90.609; 90; |
COD ID: 2018819 | |
CIF file | Formula: - C21 H22 Br N O2 - Comments: Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones Acta Crystallographica Section C 69(3) (2013) 303-306 Space group: R -3 :H Cell volume: 7854.3 Cell parameters: 29.8145; 29.8145; 10.2028; 90; 90; 120; |
COD ID: 2018820 | |
CIF file | Formula: - C21 H22 Br N O2 - Comments: Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones Acta Crystallographica Section C 69(3) (2013) 303-306 Space group: P 21 21 21 Cell volume: 1829.83 Cell parameters: 5.96905; 14.7659; 20.76083; 90; 90; 90; |
COD ID: 2018821 | |
CIF file | Formula: - C21 H22 Br N O2 - Comments: Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones Acta Crystallographica Section C 69(3) (2013) 303-306 Space group: P n a 21 Cell volume: 1800.21 Cell parameters: 9.0968; 32.068; 6.1711; 90; 90; 90; |
COD ID: 2018822 | |
CIF file | Formula: - C12 H10 Br4 - Comments: Boeré, René T.; Bender, Christopher O. A tetrabromo-1,4-ethanonaphthalene and related dibromo-1,4-ethenonaphthalene Acta Crystallographica Section C 69(3) (2013) 247-250 Space group: P -1 Cell volume: 652.31 Cell parameters: 6.9532; 8.4323; 11.9669; 94.706; 91.257; 110.892; |
COD ID: 2018823 | |
CIF file | Formula: - C12 H8 Br2 - Comments: Boeré, René T.; Bender, Christopher O. A tetrabromo-1,4-ethanonaphthalene and related dibromo-1,4-ethenonaphthalene Acta Crystallographica Section C 69(3) (2013) 247-250 Space group: P 1 21/n 1 Cell volume: 1041.3 Cell parameters: 9.52; 6.5032; 17.124; 90; 100.826; 90; |
COD ID: 2018824 | |
CIF file | Formula: - C10 H14 - Comments: Yufit, Dmitry S. The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene Acta Crystallographica Section C 69(3) (2013) 273-276 Space group: P 1 21/c 1 Cell volume: 450.46 Cell parameters: 9.0919; 6.0956; 8.9673; 90; 114.986; 90; |
COD ID: 2018825 | |
CIF file | Formula: - C10 H14 - Comments: Yufit, Dmitry S. The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene Acta Crystallographica Section C 69(3) (2013) 273-276 Space group: F d d 2 Cell volume: 1675 Cell parameters: 13.556; 15.931; 7.7562; 90; 90; 90; |
COD ID: 2018826 | |
CIF file | Formula: - C8 H10 - Comments: Yufit, Dmitry S. The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene Acta Crystallographica Section C 69(3) (2013) 273-276 Space group: P 1 21/n 1 Cell volume: 661.13 Cell parameters: 5.6138; 14.97; 8.0481; 90; 102.18; 90; |
COD ID: 2018827 | |
CIF file | Formula: - C12 H30 Cd3 Cl8 N4 O2 - Comments: Zhou, Qin-Qin; Jin, Lei; Liao, Wei-Qiang; Zhang, Yi A potential molecular ferroelectric material: poly[[bis(1-aza-4-azoniabicyclo[2.2.2]octane)di-μ~3~-chlorido-tetra-μ~2~-chlorido-dichloridotricadmium(II)] dihydrate] Acta Crystallographica Section C 69(3) (2013) 237-240 Space group: P 1 21/c 1 Cell volume: 1298.7 Cell parameters: 6.8035; 21.209; 9.0101; 90; 92.64; 90; |
COD ID: 2018828 | |
CIF file | Formula: - C30 H30 Cd N2 O9 S - Comments: Wang, Jun; Tao, Jian-Qing; Xu, Xiao-Juan; Tan, Chun-Yun A one-dimensional coordination polymer with a three-dimensional supramolecular framework: <i>catena</i>-poly[[[(3,4,7,8-tetramethyl-1,10-phenanthroline)cadmium(II)]-μ~3~-4,4'-sulfonyldibenzoato] trihydrate] Acta Crystallographica Section C 69(3) (2013) 241-243 Space group: P 1 21/c 1 Cell volume: 2883.4 Cell parameters: 13.5444; 11.9489; 18.518; 90; 105.826; 90; |
COD ID: 2018829 | |
CIF file | Formula: - C7 H12 N2 O8 S Zn - Comments: Zasłona, Halina; Drożdżewski, Piotr; Barys, Maciej A helical coordination polymer of zinc(II), 4-hydroxybenzohydrazide and sulfate ions Acta Crystallographica Section C 69(3) (2013) 229-231 Space group: P 1 21/c 1 Cell volume: 1142.8 Cell parameters: 13.365; 5.714; 15.357; 90; 102.98; 90; |
COD ID: 2018830 | |
CIF file | Formula: - C15 H23 Cl2 N3 O2 S - Comments: Chernyshev, Vladimir V.; Petkune, Sanita; Actins, Andris; Auzins, Raimonds; Davlyatshin, Dmitry I.; Nosyrev, Pavel V.; Velikodny, Yurii A. Two polymorphs of afobazole from powder diffraction data Acta Crystallographica Section C 69(3) (2013) 299-302 Space group: P 1 21/c 1 Cell volume: 1911.2 Cell parameters: 14.4952; 16.5419; 7.9715; 90; 90.858; 90; |
COD ID: 2018831 | |
CIF file | Formula: - C15 H23 Cl2 N3 O2 S - Comments: Chernyshev, Vladimir V.; Petkune, Sanita; Actins, Andris; Auzins, Raimonds; Davlyatshin, Dmitry I.; Nosyrev, Pavel V.; Velikodny, Yurii A. Two polymorphs of afobazole from powder diffraction data Acta Crystallographica Section C 69(3) (2013) 299-302 Space group: P 1 21/c 1 Cell volume: 1840.3 Cell parameters: 9.791; 18.2689; 10.5687; 90; 103.225; 90; |
COD ID: 2018832 | |
CIF file | Formula: - C11 H16 Ag4 I4 N4 - Comments: Yuan, Shuai; Liu, Shan-Shan; Lu, Hai-Feng; Xu, Meng-Zhen; Sun, Di A two-dimensional silver‒iodide organic network constructed from a unique [Ag~6~I~6~] hexagonal prism-based one-dimensional column motif Acta Crystallographica Section C 69(3) (2013) 216-218 Space group: P 1 2/n 1 Cell volume: 1083.2 Cell parameters: 12.809; 4.541; 18.788; 90; 97.621; 90; |
COD ID: 2018833 | |
CIF file | Formula: - C21 H32 N3 O7 P - Comments: Brzuszkiewicz, Anna; Makowski, Maciej; Lisowski, Marek; Lis, Elżbieta; Otreba, Marta; Lis, Tadeusz Two phosphonodehydrotripeptides: Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Abu^3^PO~3~Me~2~ and Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Nva^3^PO~3~Et~2~ Acta Crystallographica Section C 69(3) (2013) 277-281 Space group: P n a 21 Cell volume: 2456.2 Cell parameters: 8.597; 18.023; 15.852; 90; 90; 90; |
COD ID: 2018834 | |
CIF file | Formula: - C27 H46.24 N3 O8.12 P - Comments: Brzuszkiewicz, Anna; Makowski, Maciej; Lisowski, Marek; Lis, Elżbieta; Otreba, Marta; Lis, Tadeusz Two phosphonodehydrotripeptides: Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Abu^3^PO~3~Me~2~ and Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Nva^3^PO~3~Et~2~ Acta Crystallographica Section C 69(3) (2013) 277-281 Space group: P -1 Cell volume: 1576.7 Cell parameters: 10.131; 12.866; 13.368; 68.9; 75.94; 84.11; |
COD ID: 2018835 | |
CIF file | Formula: - C26 H44.16 N3 O8.08 P - Comments: Brzuszkiewicz, Anna; Makowski, Maciej; Lisowski, Marek; Lis, Elżbieta; Otreba, Marta; Lis, Tadeusz Two phosphonodehydrotripeptides: Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Abu^3^PO~3~Me~2~ and Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Nva^3^PO~3~Et~2~ Acta Crystallographica Section C 69(3) (2013) 277-281 Space group: P -1 Cell volume: 1560.9 Cell parameters: 10.047; 12.667; 13.499; 69.16; 76.54; 83.89; |
COD ID: 2018836 | |
CIF file | Formula: - C28 H25 Cl2 N2 P Pd - Comments: Motswainyana, William M.; Onani, Martin O.; Jacobs, Jeroen; Van Meervelt, Luc Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2-methylaniline}palladium(II) acetonitrile monosolvate Acta Crystallographica Section C 69(3) (2013) 209-211 Space group: C 1 2/c 1 Cell volume: 5291.2 Cell parameters: 32.35; 9.9963; 20.8851; 90; 128.423; 90; |
COD ID: 2018837 | |
CIF file | Formula: - C13 H18 N2 O S - Comments: Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Pinheiro, Alessandra C.; Mendonça, Thais C. N. de; de Souza, Marcus V. N. Three 2-(methysulfanyl)nicotinamides Acta Crystallographica Section C 69(3) (2013) 293-298 Space group: P c a 21 Cell volume: 1302.97 Cell parameters: 11.5273; 13.4634; 8.3956; 90; 90; 90; |
COD ID: 2018838 | |
CIF file | Formula: - C10 H14 N2 O S - Comments: Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Pinheiro, Alessandra C.; Mendonça, Thais C. N. de; de Souza, Marcus V. N. Three 2-(methysulfanyl)nicotinamides Acta Crystallographica Section C 69(3) (2013) 293-298 Space group: P 1 21/c 1 Cell volume: 2307 Cell parameters: 11.42; 8.58; 23.61; 90; 94.15; 90; |
COD ID: 2018839 | |
CIF file | Formula: - C9 H16 N2 O4 S - Comments: Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Pinheiro, Alessandra C.; Mendonça, Thais C. N. de; de Souza, Marcus V. N. Three 2-(methysulfanyl)nicotinamides Acta Crystallographica Section C 69(3) (2013) 293-298 Space group: P 1 21/n 1 Cell volume: 1173.3 Cell parameters: 7.194; 7.285; 22.388; 90; 90.341; 90; |
COD ID: 2018840 | |
CIF file | Formula: - C56 H44 Cd3 I6 N16 O2 - Comments: Degtyarenko, Anna S.; Domasevitch, Konstantin V. Cadmium(II) iodide and thiocyanate complexes adopted by polycyclic 1,4-bis(pyridazin-4-yl)benzene: interplay of coordination and π‒π stacking interactions Acta Crystallographica Section C 69(3) (2013) 219-224 Space group: P -1 Cell volume: 1557.26 Cell parameters: 8.071; 13.0867; 15.2422; 81.885; 81.742; 79.87; |
COD ID: 2018841 | |
CIF file | Formula: - C16 H10 Cd N6 S2 - Comments: Degtyarenko, Anna S.; Domasevitch, Konstantin V. Cadmium(II) iodide and thiocyanate complexes adopted by polycyclic 1,4-bis(pyridazin-4-yl)benzene: interplay of coordination and π‒π stacking interactions Acta Crystallographica Section C 69(3) (2013) 219-224 Space group: P -1 Cell volume: 404 Cell parameters: 5.9018; 7.6619; 9.2433; 88.98; 75.434; 87.049; |
COD ID: 2018842 | |
CIF file | Formula: - C22 H19 N O4 S - Comments: de Castro, Mirian R. C.; Aragão, Angelo Q.; Napolitano, Hamilton B.; Noda-Perez, Caridad; Martins, Felipe T. An additional methylene group driving the conformation and assembly of two arylsulfonamide <i>para</i>-alkoxychalcone hybrids Acta Crystallographica Section C 69(3) (2013) 267-272 Space group: P -1 Cell volume: 1948.99 Cell parameters: 11.865; 12.242; 14.7287; 68.075; 81.665; 80.437; |
COD ID: 2018843 | |
CIF file | Formula: - C23 H21 N O4 S - Comments: de Castro, Mirian R. C.; Aragão, Angelo Q.; Napolitano, Hamilton B.; Noda-Perez, Caridad; Martins, Felipe T. An additional methylene group driving the conformation and assembly of two arylsulfonamide <i>para</i>-alkoxychalcone hybrids Acta Crystallographica Section C 69(3) (2013) 267-272 Space group: P 1 21/c 1 Cell volume: 2115.49 Cell parameters: 8.4506; 20.1587; 14.212; 90; 119.098; 90; |
COD ID: 2018844 | |
CIF file | Formula: - C30 H26 Cd N2 O7 S - Comments: Tao, Jian-Qing A one-dimensional coordination polymer based on Cd~2~O~2~ clusters: poly[aqua(μ~3~-4,4'-sulfonyldibenzoato)(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)] Acta Crystallographica Section C 69(3) (2013) 244-246 Space group: P -1 Cell volume: 1362.5 Cell parameters: 8.0981; 12.2931; 14.6297; 78.157; 80.994; 74.005; |
COD ID: 2018845 | |
CIF file | Formula: - C15 H13 N O2 - Comments: He, Chang-Shuai; Liu, Lu-Fang; Guo, Lei; Wu, Jian-Zhong Supramolecular networks of 10-(2-hydroxyethyl)acridin-9(10<i>H</i>)-one and 10-(2-chloroethyl)acridin-9(10<i>H</i>)-one Acta Crystallographica Section C 69(3) (2013) 289-292 Space group: P 1 21/c 1 Cell volume: 1140.2 Cell parameters: 8.8247; 12.0858; 10.9511; 90; 102.51; 90; |
COD ID: 2018846 | |
CIF file | Formula: - C15 H12 Cl N O - Comments: He, Chang-Shuai; Liu, Lu-Fang; Guo, Lei; Wu, Jian-Zhong Supramolecular networks of 10-(2-hydroxyethyl)acridin-9(10<i>H</i>)-one and 10-(2-chloroethyl)acridin-9(10<i>H</i>)-one Acta Crystallographica Section C 69(3) (2013) 289-292 Space group: P 1 21/c 1 Cell volume: 1236.8 Cell parameters: 9.3632; 16.449; 8.0359; 90; 92.151; 90; |
COD ID: 2018847 | |
CIF file | Formula: - C19 H17 N O S - Comments: Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Three closely related thienyl-substituted 1,4-epoxynaphtho[1,2-<i>b</i>]azepines: hydrogen-bonded assembly in one, two and three dimensions Acta Crystallographica Section C 69(3) (2013) 307-312 Space group: P 21 21 21 Cell volume: 1480.6 Cell parameters: 7.0387; 11.5605; 18.1951; 90; 90; 90; |
COD ID: 2018848 | |
CIF file | Formula: - C19 H17 N O S - Comments: Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Three closely related thienyl-substituted 1,4-epoxynaphtho[1,2-<i>b</i>]azepines: hydrogen-bonded assembly in one, two and three dimensions Acta Crystallographica Section C 69(3) (2013) 307-312 Space group: P 1 21/c 1 Cell volume: 1490.4 Cell parameters: 16.165; 5.2505; 20.041; 90; 118.813; 90; |
COD ID: 2018849 | |
CIF file | Formula: - C18 H14 Br N O S - Comments: Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Three closely related thienyl-substituted 1,4-epoxynaphtho[1,2-<i>b</i>]azepines: hydrogen-bonded assembly in one, two and three dimensions Acta Crystallographica Section C 69(3) (2013) 307-312 Space group: P n a 21 Cell volume: 3073.8 Cell parameters: 15.316; 9.923; 20.225; 90; 90; 90; |
COD ID: 2018850 | |
CIF file | Formula: - C13 H17 N O4 S - Comments: Akerman, Kate J.; Munro, Orde Q. An X-ray crystallographic and density functional theory study of (3<i>Z</i>)-4-(5-ethylsulfonyl-2-hydroxyanilino)pent-3-en-2-one and (3<i>Z</i>)-4-(5-<i>tert</i>-butyl-2-hydroxyanilino)pent-3-en-2-one Acta Crystallographica Section C 69(3) (2013) 258-262 Space group: P 21 21 21 Cell volume: 1383 Cell parameters: 6.2335; 8.9651; 24.747; 90; 90; 90; |
COD ID: 2018851 | |
CIF file | Formula: - C15 H21 N O2 - Comments: Akerman, Kate J.; Munro, Orde Q. An X-ray crystallographic and density functional theory study of (3<i>Z</i>)-4-(5-ethylsulfonyl-2-hydroxyanilino)pent-3-en-2-one and (3<i>Z</i>)-4-(5-<i>tert</i>-butyl-2-hydroxyanilino)pent-3-en-2-one Acta Crystallographica Section C 69(3) (2013) 258-262 Space group: P 1 21/c 1 Cell volume: 1404.62 Cell parameters: 12.3617; 8.3063; 14.1054; 90; 104.114; 90; |
COD ID: 2018886 | |
CIF file | Formula: - C26 H18 Cl N3 O2 Zn - Comments: Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin Three isomorphous two-dimensional coordination polymers generated from a benzimidazole bridging ligand and Zn<i>X</i>~2~ (<i>X</i> = Cl, Br and I) Acta Crystallographica Section C 69(4) (2013) 367-371 Space group: P 1 21/n 1 Cell volume: 2204 Cell parameters: 12.925; 10.175; 17.334; 90; 104.804; 90; |
COD ID: 2018887 | |
CIF file | Formula: - C26 H18 Br N3 O2 Zn - Comments: Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin Three isomorphous two-dimensional coordination polymers generated from a benzimidazole bridging ligand and Zn<i>X</i>~2~ (<i>X</i> = Cl, Br and I) Acta Crystallographica Section C 69(4) (2013) 367-371 Space group: P 1 21/n 1 Cell volume: 2251.9 Cell parameters: 13.046; 10.276; 17.437; 90; 105.568; 90; |
COD ID: 2018888 | |
CIF file | Formula: - C26 H18 I N3 O2 Zn - Comments: Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin Three isomorphous two-dimensional coordination polymers generated from a benzimidazole bridging ligand and Zn<i>X</i>~2~ (<i>X</i> = Cl, Br and I) Acta Crystallographica Section C 69(4) (2013) 367-371 Space group: P 1 21/n 1 Cell volume: 2320 Cell parameters: 13.212; 10.48; 17.535; 90; 107.148; 90; |
COD ID: 2018889 | |
CIF file | Formula: - Ba15.1 Ga31 K0.9 Sn105 - Comments: Schäfer, Marion C.; Bobev, Svilen K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3) Acta Crystallographica Section C 69(4) (2013) 319-323 Space group: F d -3 m :2 Cell volume: 4928.4 Cell parameters: 17.0178; 17.0178; 17.0178; 90; 90; 90; |
COD ID: 2018890 | |
CIF file | Formula: - Ba11.7 Ga27.4 K4.3 Sn108.6 - Comments: Schäfer, Marion C.; Bobev, Svilen K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3) Acta Crystallographica Section C 69(4) (2013) 319-323 Space group: F d -3 m :2 Cell volume: 4974.7 Cell parameters: 17.0709; 17.0709; 17.0709; 90; 90; 90; |
COD ID: 2018891 | |
CIF file | Formula: - Ba3.1 Ga19.5 K12.9 Sn116.5 - Comments: Schäfer, Marion C.; Bobev, Svilen K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3) Acta Crystallographica Section C 69(4) (2013) 319-323 Space group: F d -3 m :2 Cell volume: 5083.7 Cell parameters: 17.1946; 17.1946; 17.1946; 90; 90; 90; |
COD ID: 2018892 | |
CIF file | Formula: - Ba0.3 Ga8.5 K7.7 Sn37.5 - Comments: Schäfer, Marion C.; Bobev, Svilen K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3) Acta Crystallographica Section C 69(4) (2013) 319-323 Space group: P m -3 n Cell volume: 1704.22 Cell parameters: 11.9447; 11.9447; 11.9447; 90; 90; 90; |
COD ID: 2018893 | |
CIF file | Formula: - C45.5 H50 N2 O8 Zn2 - Comments: Petrus, Rafał; Sobota, Piotr A dinuclear zinc complex containing a diamond-core geometry: [Zn~2~(μ~2~-GueO)~2~(GueO)~2~(py)~2~]·0.5(toluene) (GueOH is guethol) Acta Crystallographica Section C 69(4) (2013) 372-375 Space group: P -1 Cell volume: 2054.8 Cell parameters: 10.151; 13.063; 16.297; 81.37; 74.2; 85.95; |
COD ID: 2018894 | |
CIF file | Formula: - C16 H21 Cl N2 O2 - Comments: Mesto, E.; Quaranta, E. Hydrogen-bonded and π-interaction assembly in two 8-alkoxycarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride salts Acta Crystallographica Section C 69(4) (2013) 444-447 Space group: P 1 21/c 1 Cell volume: 1516.53 Cell parameters: 10.1805; 14.5849; 10.3843; 90; 100.404; 90; |
COD ID: 2018895 | |
CIF file | Formula: - C11 H21 Cl N2 O3 - Comments: Mesto, E.; Quaranta, E. Hydrogen-bonded and π-interaction assembly in two 8-alkoxycarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride salts Acta Crystallographica Section C 69(4) (2013) 444-447 Space group: P 1 21/c 1 Cell volume: 1364.92 Cell parameters: 6.6506; 15.5432; 13.2041; 90; 90.237; 90; |
COD ID: 2018896 | |
CIF file | Formula: - C16 H21 N3 O3 - Comments: Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Rao, Bandi Venugopal Frovatriptan salts of aliphatic carboxylic acids Acta Crystallographica Section C 69(4) (2013) 428-435 Space group: P 1 21/c 1 Cell volume: 1616 Cell parameters: 11.2397; 16.7124; 8.6528; 90; 96.15; 90; |
COD ID: 2018897 | |
CIF file | Formula: - C18 H25 N3 O6 - Comments: Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Rao, Bandi Venugopal Frovatriptan salts of aliphatic carboxylic acids Acta Crystallographica Section C 69(4) (2013) 428-435 Space group: P 1 21 1 Cell volume: 1898.64 Cell parameters: 10.6206; 7.9939; 22.3916; 90; 92.884; 90; |
COD ID: 2018898 | |
CIF file | Formula: - C32 H46 N6 O9 - Comments: Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Rao, Bandi Venugopal Frovatriptan salts of aliphatic carboxylic acids Acta Crystallographica Section C 69(4) (2013) 428-435 Space group: P 1 21 1 Cell volume: 1639.4 Cell parameters: 8.7239; 18.662; 10.127; 90; 96.098; 90; |
COD ID: 2018899 | |
CIF file | Formula: - C34 H21 O3 P Ru - Comments: Arce, Alejandro; De Sanctis, Ysaura; Galarza, Esperanza; Garland, María Teresa; Baggio, Ricardo Two complexes derived from the reaction of <i>M</i>~3~(CO)~12~ clusters (<i>M</i> = Ru, Os) with the 9-(triphenylphosphonio)fluorenide ylide: tricarbonyl[9-(triphenylphosphonio)fluorenylidene]ruthenium and nonacarbonyl-μ~3~-fluorenylidene-μ~2~-hydrido-<i>triangulo</i>-triosmium(III) Acta Crystallographica Section C 69(4) (2013) 363-366 Space group: P 1 21/n 1 Cell volume: 2734 Cell parameters: 10.029; 15.242; 17.922; 90; 93.5; 90; |
COD ID: 2018900 | |
CIF file | Formula: - C22 H8 O9 Os3 - Comments: Arce, Alejandro; De Sanctis, Ysaura; Galarza, Esperanza; Garland, María Teresa; Baggio, Ricardo Two complexes derived from the reaction of <i>M</i>~3~(CO)~12~ clusters (<i>M</i> = Ru, Os) with the 9-(triphenylphosphonio)fluorenide ylide: tricarbonyl[9-(triphenylphosphonio)fluorenylidene]ruthenium and nonacarbonyl-μ~3~-fluorenylidene-μ~2~-hydrido-<i>triangulo</i>-triosmium(III) Acta Crystallographica Section C 69(4) (2013) 363-366 Space group: P 1 21/n 1 Cell volume: 2260.6 Cell parameters: 9.3325; 13.96; 17.865; 90; 103.771; 90; |
COD ID: 2018901 | |
CIF file | Formula: - C33 H48 Br3 Cu3 N6 Nd O24 - Comments: Xu, Li-Qing; Lu, Li-Ping; Zhu, Miao-Li Analogy to a Chinese knot in an ion-pair copper(II)‒neodymium(III) complex based on a hexadentate Schiff base condensation product of 5-bromosalicylaldehyde and glycylglycine Acta Crystallographica Section C 69(4) (2013) 376-379 Space group: P -1 Cell volume: 2457.9 Cell parameters: 11.357; 12.588; 19.254; 84.268; 77.257; 66.283; |
COD ID: 2018902 | |
CIF file | Formula: - C9 H12 Au Cl2 N - Comments: Wood, Matthew R.; Lalancette, Roger A. Understanding the microcrystal tests of three related phenethylamines: the <i>ortho</i>-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine Acta Crystallographica Section C 69(4) (2013) 388-393 Space group: P b c a Cell volume: 2229.47 Cell parameters: 9.1323; 8.9812; 27.1824; 90; 90; 90; |
COD ID: 2018903 | |
CIF file | Formula: - C10 H16 Au Cl4 N - Comments: Wood, Matthew R.; Lalancette, Roger A. Understanding the microcrystal tests of three related phenethylamines: the <i>ortho</i>-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine Acta Crystallographica Section C 69(4) (2013) 388-393 Space group: P 1 21 1 Cell volume: 1457.05 Cell parameters: 7.3561; 14.2394; 13.9103; 90; 90.077; 90; |
COD ID: 2018904 | |
CIF file | Formula: - C10 H16 Au Cl4 N O - Comments: Wood, Matthew R.; Lalancette, Roger A. Understanding the microcrystal tests of three related phenethylamines: the <i>ortho</i>-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine Acta Crystallographica Section C 69(4) (2013) 388-393 Space group: P 1 21/c 1 Cell volume: 2992.7 Cell parameters: 7.7537; 25.0264; 15.4587; 90; 93.92; 90; |
COD ID: 2018905 | |
CIF file | Formula: - C11 H11 Br O3 - Comments: Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim Similarities and differences in the structures of 5-bromo-6-hydroxy-7,8-dimethylchroman-2-one and 6-hydroxy-7,8-dimethyl-5-nitrochroman-2-one Acta Crystallographica Section C 69(4) (2013) 407-411 Space group: P -4 21 c Cell volume: 2016.1 Cell parameters: 16.2247; 16.2247; 7.6586; 90; 90; 90; |
COD ID: 2018906 | |
CIF file | Formula: - C11 H11 N O5 - Comments: Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim Similarities and differences in the structures of 5-bromo-6-hydroxy-7,8-dimethylchroman-2-one and 6-hydroxy-7,8-dimethyl-5-nitrochroman-2-one Acta Crystallographica Section C 69(4) (2013) 407-411 Space group: P -1 Cell volume: 507.74 Cell parameters: 5.0922; 7.3347; 13.942; 97.657; 100.072; 90.862; |
COD ID: 2018907 | |
CIF file | Formula: - H22 Mg O15 S - Comments: Fortes, A. Dominic; Wood, Ian G.; Gutmann, Matthias J. MgSO~4~·11H~2~O and MgCrO~4~·11H~2~O based on time-of-flight neutron single-crystal Laue data Acta Crystallographica Section C 69(4) (2013) 324-329 Space group: P -1 Cell volume: 701.5 Cell parameters: 6.7283; 6.7839; 17.332; 88.181; 89.349; 62.515; |
COD ID: 2018908 | |
CIF file | Formula: - Cr H22 Mg O15 - Comments: Fortes, A. Dominic; Wood, Ian G.; Gutmann, Matthias J. MgSO~4~·11H~2~O and MgCrO~4~·11H~2~O based on time-of-flight neutron single-crystal Laue data Acta Crystallographica Section C 69(4) (2013) 324-329 Space group: P -1 Cell volume: 724.8 Cell parameters: 6.7721; 6.917; 17.41; 88.21; 89.43; 62.768; |
COD ID: 2018909 | |
CIF file | Formula: - C5 H13 N O3.77 - Comments: Minkov, Vasily S.; Kapustin, Evgeny A.; Boldyreva, Elena V. Betaine 0.77-perhydrate 0.23-hydrate and common structural motifs in crystals of amino acid perhydrates Acta Crystallographica Section C 69(4) (2013) 416-420 Space group: P c a 21 Cell volume: 761.56 Cell parameters: 9.5819; 6.78424; 11.7152; 90; 90; 90; |
COD ID: 2018910 | |
CIF file | Formula: - C5 H13 N O3.76 - Comments: Minkov, Vasily S.; Kapustin, Evgeny A.; Boldyreva, Elena V. Betaine 0.77-perhydrate 0.23-hydrate and common structural motifs in crystals of amino acid perhydrates Acta Crystallographica Section C 69(4) (2013) 416-420 Space group: P c a 21 Cell volume: 738.21 Cell parameters: 9.4916; 6.7062; 11.5975; 90; 90; 90; |
COD ID: 2018911 | |
CIF file | Formula: - C48 H52 N2 O6 - Comments: Zelaya, Carlos A.; Stevens, Edwin D.; Dowd, Michael K. Di(phenylpropylamino)gossypol: a derivative of the dimeric natural product gossypol Acta Crystallographica Section C 69(4) (2013) 439-443 Space group: P 1 21/c 1 Cell volume: 4162 Cell parameters: 12.0729; 29.176; 11.8511; 90; 94.417; 90; |
COD ID: 2018912 | |
CIF file | Formula: - C48 H52 N2 O6 - Comments: Zelaya, Carlos A.; Stevens, Edwin D.; Dowd, Michael K. Di(phenylpropylamino)gossypol: a derivative of the dimeric natural product gossypol Acta Crystallographica Section C 69(4) (2013) 439-443 Space group: P 1 21/c 1 Cell volume: 4053.9 Cell parameters: 11.9559; 29.079; 11.6918; 90; 94.207; 90; |
COD ID: 2018913 | |
CIF file | Formula: - C30 H32 Cu N6 O10 - Comments: Patra, Ranjan; Goldberg, Israel A one-dimensional coordination polymer of 5-[(imidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid with Cu^II^ cations Acta Crystallographica Section C 69(4) (2013) 344-347 Space group: P 1 21/n 1 Cell volume: 1576.66 Cell parameters: 7.5555; 21.9603; 9.8497; 90; 105.259; 90; |
COD ID: 2018914 | |
CIF file | Formula: - C32 H36 Cu N6 O10 - Comments: Patra, Ranjan; Goldberg, Israel A one-dimensional coordination polymer of 5-[(imidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid with Cu^II^ cations Acta Crystallographica Section C 69(4) (2013) 344-347 Space group: P 1 21/n 1 Cell volume: 1631.17 Cell parameters: 7.7557; 21.9826; 9.816; 90; 102.92; 90; |
COD ID: 2018915 | |
CIF file | Formula: - C7 H13 Cl3 N4 S2 Zn - Comments: Fu, Wei-Wei; Chen, Man-Sheng; Liu, Yang; Zhang, Fu-Xing (4,6-Dimethyl-2-sulfanylidenepyrimidin-1-ium) trichlorido(thiourea-κ<i>S</i>)zinc(II) Acta Crystallographica Section C 69(4) (2013) 384-387 Space group: C 1 2/c 1 Cell volume: 3004.31 Cell parameters: 15.3648; 7.3374; 26.7111; 90; 93.919; 90; |
COD ID: 2018916 | |
CIF file | Formula: - C28 H24 Si - Comments: Clegg, William; Harrington, Ross W.; Mercier, Lauren G.; Piers, Warren E. 5,5-Dimethyl-2,8-diphenyl-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]silepine: a synchrotron study Acta Crystallographica Section C 69(4) (2013) 436-438 Space group: F d d 2 Cell volume: 8617 Cell parameters: 24.234; 51.149; 6.952; 90; 90; 90; |
COD ID: 2018917 | |
CIF file | Formula: - C6 H10 Br2 N2 Pt - Comments: Pažout, Richard; Maixner, Jaroslav; Hrdá, Michaela; Loužilová, Tereza; Kačer, Petr A bromine analogue of picoplatin: a new substance from the group of platinum-based chemotherapeutics Acta Crystallographica Section C 69(4) (2013) 337-339 Space group: P 1 21/c 1 Cell volume: 1023.07 Cell parameters: 10.0371; 9.0733; 11.4901; 90; 102.12; 90; |
COD ID: 2018918 | |
CIF file | Formula: - Cl H2.35 Li0.41 N0.59 O4 - Comments: Walha, Siwar; Bouchaala, Mahmoud; Ben Salah, Abdelhamid The interpenetrated three-dimensional framework of a new mixed lithium/ammonium perchlorate grown in a gel medium Acta Crystallographica Section C 69(4) (2013) 315-318 Space group: I -4 2 d Cell volume: 423.83 Cell parameters: 7.4946; 7.4946; 7.5457; 90; 90; 90; |
COD ID: 2018919 | |
CIF file | Formula: - Fe H29 O22 S2 - Comments: Schmidt, Horst; Hennings, Erik; Zürner, Philipp; Voigt, Wolfgang Fe~2~(SO~4~)~3~·H~2~SO~4~·28H~2~O, a low-temperature water-rich iron(III) sulfate Acta Crystallographica Section C 69(4) (2013) 330-333 Space group: P b c a Cell volume: 1976.2 Cell parameters: 12.0692; 12.7108; 12.882; 90; 90; 90; |
COD ID: 2018920 | |
CIF file | Formula: - Fe H29 O22 S2 - Comments: Schmidt, Horst; Hennings, Erik; Zürner, Philipp; Voigt, Wolfgang Fe~2~(SO~4~)~3~·H~2~SO~4~·28H~2~O, a low-temperature water-rich iron(III) sulfate Acta Crystallographica Section C 69(4) (2013) 330-333 Space group: P b c a Cell volume: 1978.4 Cell parameters: 12.0802; 12.763; 12.832; 90; 90; 90; |
COD ID: 2018921 | |
CIF file | Formula: - C42 H40 Cl2 Cu2 N6 O8 - Comments: Zhao, Ning Bis[μ-2-({2-[2-(2-chlorophenoxy)-1-oxidoethylidene]hydrazinylidene}methyl)phenolato]bis[pyridinecopper(II)] methanol disolvate Acta Crystallographica Section C 69(4) (2013) 348-350 Space group: P -1 Cell volume: 1060.5 Cell parameters: 7.557; 12.223; 12.681; 111.615; 92.294; 101.13; |
COD ID: 2018922 | |
CIF file | Formula: - Al K O4 Si - Comments: Kremenović, Aleksandar; Lazic, Biljana; Krüger, Hannes; Tribus, Martina; Vulić, Predrag Monoclinic structure and nonstoichiometry of `KAlSiO~4~-<i>O1</i>' Acta Crystallographica Section C 69(4) (2013) 334-336 Space group: P 1 21 1 Cell volume: 1213.2 Cell parameters: 15.6553; 9.0565; 8.5568; 90; 90.017; 90; |
COD ID: 2018923 | |
CIF file | Formula: - C28 H39 N3 O2 - Comments: Sandhu, Bhupinder; Draguta, Sergiu; Kinnibrugh, Tiffany L.; Khrustalev, Victor N.; Timofeeva, Tatiana V. Supramolecular synthesis based on piperidone derivatives and pharmaceutically acceptable co-formers Acta Crystallographica Section C 69(4) (2013) 421-427 Space group: P 1 21/n 1 Cell volume: 2499.39 Cell parameters: 14.8473; 7.7578; 21.8602; 90; 96.954; 90; |
COD ID: 2018924 | |
CIF file | Formula: - C58 H76 N6 O6 - Comments: Sandhu, Bhupinder; Draguta, Sergiu; Kinnibrugh, Tiffany L.; Khrustalev, Victor N.; Timofeeva, Tatiana V. Supramolecular synthesis based on piperidone derivatives and pharmaceutically acceptable co-formers Acta Crystallographica Section C 69(4) (2013) 421-427 Space group: P -1 Cell volume: 2545.3 Cell parameters: 11.1075; 12.965; 17.899; 96.32; 92.211; 95.861; |
COD ID: 2018925 | |
CIF file | Formula: - C64 H88 N6 O6 - Comments: Sandhu, Bhupinder; Draguta, Sergiu; Kinnibrugh, Tiffany L.; Khrustalev, Victor N.; Timofeeva, Tatiana V. Supramolecular synthesis based on piperidone derivatives and pharmaceutically acceptable co-formers Acta Crystallographica Section C 69(4) (2013) 421-427 Space group: P -1 Cell volume: 1424.7 Cell parameters: 8.2905; 12.7532; 14.0762; 87.076; 77.516; 78.66; |
COD ID: 2018926 | |
CIF file | Formula: - C24 H24 Cl4 N4 O4 Pb4 - Comments: Liu, Ting; Pan, Yu-Peng; Wang, Suna; Dou, Jian-Min Two novel lead(II) complexes of 2-(hydroxymethyl)pyridine: a threefold diamondoid supramolecular network based on Pb~4~O~4~ cores and a two-dimensional (4,4) network based on Pb~2~O~2~ units Acta Crystallographica Section C 69(4) (2013) 394-399 Space group: I 41/a :2 Cell volume: 3140.1 Cell parameters: 15.373; 15.373; 13.287; 90; 90; 90; |
COD ID: 2018927 | |
CIF file | Formula: - C6 H6 N2 O4 Pb - Comments: Liu, Ting; Pan, Yu-Peng; Wang, Suna; Dou, Jian-Min Two novel lead(II) complexes of 2-(hydroxymethyl)pyridine: a threefold diamondoid supramolecular network based on Pb~4~O~4~ cores and a two-dimensional (4,4) network based on Pb~2~O~2~ units Acta Crystallographica Section C 69(4) (2013) 394-399 Space group: P 1 21/c 1 Cell volume: 869.2 Cell parameters: 10.0543; 10.3292; 8.3716; 90; 91.388; 90; |
COD ID: 2018928 | |
CIF file | Formula: - C13 H10 N2 O3 - Comments: Ribeiro, Marcos Antônio; Oliveira, Willian Xerxes Coelho; Stumpf, Humberto Osório; Pinheiro, Carlos Basílio The structure of the 1<i>H</i>-imidazol-3-ium lawsonate salt aided by <i>ab initio</i> gas-phase calculations Acta Crystallographica Section C 69(4) (2013) 403-406 Space group: P 21 21 21 Cell volume: 1179.44 Cell parameters: 4.7783; 10.7727; 22.9128; 90; 90; 90; |
COD ID: 2018929 | |
CIF file | Formula: - C26 H19 N3 O5 Zn - Comments: Wang, Guan-Hua; Lei, Yong-Qian A fourfold interpenetrating diamondoid three-dimensional coordination polymer: poly[[[μ~2~-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'](μ~2~-5-hydroxyisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)] 1,2-bis(pyridin-4-yl)ethene hemisolvate] Acta Crystallographica Section C 69(4) (2013) 360-362 Space group: P 1 21/n 1 Cell volume: 2262.2 Cell parameters: 12.8286; 13.065; 13.8347; 90; 102.683; 90; |
COD ID: 2018930 | |
CIF file | Formula: - C42 H40 Cl2 Co2 N8 O4 - Comments: Modec, Barbara Polymorphism of <i>mer</i>-μ-oxalato-bis[chloridotripyridinecobalt(II)] pyridine disolvate Acta Crystallographica Section C 69(4) (2013) 340-343 Space group: P -1 Cell volume: 1010.18 Cell parameters: 9.6402; 9.9899; 10.7775; 78.834; 82.856; 89.704; |
COD ID: 2018931 | |
CIF file | Formula: - C12 H22 N2 Ni O9 S - Comments: Suarez, Sebastián; Doctorovich, Fabio; Harvey, Miguel Angel; Baggio, Ricardo Tetraaqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) sulfate monohydrate: a simple molecule with an extremely complex hydrogen-bonding scheme Acta Crystallographica Section C 69(4) (2013) 351-355 Space group: P 1 21/n 1 Cell volume: 1735.25 Cell parameters: 11.8007; 11.7095; 13.6967; 90; 113.53; 90; |
COD ID: 2018932 | |
CIF file | Formula: - C26 H18 F3 N3 O S - Comments: Rajni Swamy, V.; Müller, P.; Srinivasan, N.; Perumal, S.; Krishnakumar, R. V. Isomorphous methyl- and chloro-substituted small heterocyclic analogues obeying the chlorine‒methyl (Cl‒Me) exchange rule Acta Crystallographica Section C 69(4) (2013) 412-415 Space group: P -1 Cell volume: 1135.37 Cell parameters: 10.0323; 10.3715; 11.7411; 109.211; 96.105; 95.676; |
COD ID: 2018933 | |
CIF file | Formula: - C25 H15 Cl F3 N3 O S - Comments: Rajni Swamy, V.; Müller, P.; Srinivasan, N.; Perumal, S.; Krishnakumar, R. V. Isomorphous methyl- and chloro-substituted small heterocyclic analogues obeying the chlorine‒methyl (Cl‒Me) exchange rule Acta Crystallographica Section C 69(4) (2013) 412-415 Space group: P -1 Cell volume: 1125.82 Cell parameters: 10.0018; 10.3503; 11.6309; 108.607; 95.295; 95.628; |
COD ID: 2018934 | |
CIF file | Formula: - C18 H8 Cl2 N2 O2 S8 - Comments: Nakagawa, Yuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu The bis(ethylenedithio)tetrathiafulvalene-based ionic charge-transfer complex with 2,3-dichloro-5,6-dicyano-<i>p</i>-benzoquinone Acta Crystallographica Section C 69(4) (2013) 400-402 Space group: P -1 Cell volume: 1080.86 Cell parameters: 6.5975; 13.0254; 13.3531; 103.739; 98.123; 99.217; |
COD ID: 2018935 | |
CIF file | Formula: - C19 H17 Ag Cl N3 O6 - Comments: Hu, Dong-Cheng; Xiao, Chao-Hu; Guo, Guo-Zhe; Yang, Yun-Xia; Liu, Jia-Cheng A one-dimensional silver(I) coordination polymer based on the 2-[2-(pyridin-4-yl)-1<i>H</i>-benzimidazol-1-ylmethyl]phenol ligand exhibiting photoluminescence Acta Crystallographica Section C 69(4) (2013) 356-359 Space group: P 1 21/n 1 Cell volume: 2000.7 Cell parameters: 9.739; 21.26; 9.952; 90; 103.851; 90; |
COD ID: 2018936 | |
CIF file | Formula: - C21 H20 Br N O - Comments: Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher A hydrogen-bonded tetramer in (2<i>RS</i>,4<i>SR</i>)-7-bromo-2-(2-methylphenyl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol and a three-dimensional hydrogen-bonded framework in (2<i>RS</i>,4<i>SR</i>)-2-(3-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol Acta Crystallographica Section C 69(4) (2013) 448-452 Space group: P 1 21/c 1 Cell volume: 3408 Cell parameters: 8.438; 24.957; 16.221; 90; 93.914; 90; |
COD ID: 2018937 | |
CIF file | Formula: - C19 H19 N O S - Comments: Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher A hydrogen-bonded tetramer in (2<i>RS</i>,4<i>SR</i>)-7-bromo-2-(2-methylphenyl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol and a three-dimensional hydrogen-bonded framework in (2<i>RS</i>,4<i>SR</i>)-2-(3-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol Acta Crystallographica Section C 69(4) (2013) 448-452 Space group: C 1 c 1 Cell volume: 3228.7 Cell parameters: 25.431; 16.318; 8.0193; 90; 104.021; 90; |
COD ID: 2018938 | |
CIF file | Formula: - C12 H32 Cl12 Cu4 N4 O6 - Comments: Liao, Wei-Qiang; Zhou, Qin-Qin; Zhang, Yi <i>catena</i>-Poly[1,4-dihydroxy-1,4-diazoniabicyclo[2.2.2]octane [aquatri-μ-chlorido-trichloridodicuprate(II)]] Acta Crystallographica Section C 69(4) (2013) 380-383 Space group: P 1 21/c 1 Cell volume: 1578.9 Cell parameters: 10.039; 14.652; 13.976; 90; 129.823; 90; |
COD ID: 2018939 | |
CIF file | Formula: - C41 H39 Cu N O9 P2 - Comments: Zhou, Mengbo; Song, Li; Niu, Feng; Shu, Kangying; Chai, Wenxiang A square-pyramidal copper(II) complex with strong intramolecular hydrogen bonds: diaqua(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)bis[2-(diphenylphosphoryl)benzoato-κ<i>O</i>]copper(II) Acta Crystallographica Section C 69(5) (2013) 463-466 Space group: C 1 2/c 1 Cell volume: 3861 Cell parameters: 19.0469; 8.7313; 23.608; 90; 100.45; 90; |
COD ID: 2018940 | |
CIF file | Formula: - C28 H24 Cl4 Cu N5 O2 P - Comments: Gubina, Kateryna; Ovchynnikov, Vladimir; Amirkhanov, Vladymir; Shishkina, Svetlana Chlorido[<i>N</i>,<i>N</i>'-dibenzyl-<i>N</i>''-(trichloroacetyl)phosphoramidato-κ^2^<i>O</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) Acta Crystallographica Section C 69(6) (2013) 606-609 Space group: C 1 c 1 Cell volume: 3003.75 Cell parameters: 16.4404; 21.0317; 9.8219; 90; 117.814; 90; |
COD ID: 2018941 | |
CIF file | Formula: - C16 H20 Cu2 N8 S4 - Comments: Liu, Shan-Shan; Yuan, Shuai; Lu, Hai-Feng; Xu, Meng-Zhen; Sun, Di A novel two-dimensional CuSCN network templated by 2,2'-dimethyl-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium) cations Acta Crystallographica Section C 69(6) (2013) 610-612 Space group: P 1 21/c 1 Cell volume: 1142.33 Cell parameters: 9.6679; 9.7024; 12.3648; 90; 99.969; 90; |
COD ID: 2018942 | |
CIF file | Formula: - C60 H72 N6 O23 Zn2 - Comments: Wang, Yi-Long; Shao, Zhu-Jia; Qian, Shao-Song Binuclear and chain-structure zinc(II) complexes constructed from 3,4-dimethoxy-<i>trans</i>-cinnamic acid and <i>N</i>-donor coligands 4-(1<i>H</i>-pyrazol-3-yl)pyridine and 4,4'-bipyridine Acta Crystallographica Section C 69(5) (2013) 471-475 Space group: C 1 2/c 1 Cell volume: 6473.5 Cell parameters: 25.1037; 17.2675; 14.9338; 90; 90.042; 90; |
COD ID: 2018943 | |
CIF file | Formula: - C32 H30 N2 O8 Zn - Comments: Wang, Yi-Long; Shao, Zhu-Jia; Qian, Shao-Song Binuclear and chain-structure zinc(II) complexes constructed from 3,4-dimethoxy-<i>trans</i>-cinnamic acid and <i>N</i>-donor coligands 4-(1<i>H</i>-pyrazol-3-yl)pyridine and 4,4'-bipyridine Acta Crystallographica Section C 69(5) (2013) 471-475 Space group: C 1 2/c 1 Cell volume: 2830.5 Cell parameters: 26.6175; 6.0635; 18.7796; 90; 110.954; 90; |
COD ID: 2018944 | |
CIF file | Formula: - C24 H20 Br2 Cd N4 O - Comments: Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin Two one-dimensional coordination polymers generated from a new benzimidazole bridging ligand and Cd<i>X</i>~2~ (<i>X</i> = Br and I) Acta Crystallographica Section C 69(5) (2013) 476-479 Space group: P -1 Cell volume: 1174.7 Cell parameters: 9.379; 10.023; 13.773; 101.504; 107.424; 99.561; |
COD ID: 2018945 | |
CIF file | Formula: - C24 H18 Cd I2 N4 - Comments: Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin Two one-dimensional coordination polymers generated from a new benzimidazole bridging ligand and Cd<i>X</i>~2~ (<i>X</i> = Br and I) Acta Crystallographica Section C 69(5) (2013) 476-479 Space group: P -1 Cell volume: 1154.3 Cell parameters: 9.128; 10.254; 13.429; 70.065; 77.717; 86.952; |
COD ID: 2018946 | |
CIF file | Formula: - C19 H14 N4 - Comments: Bats, Jan W.; Schell, Peter; Engels, Joachim W. Biphenyl- and phenylnaphthalenyl-substituted 1<i>H</i>-imidazole-4,5-dicarbonitrile catalysts for the coupling reaction of nucleoside methyl phosphonamidites Acta Crystallographica Section C 69(5) (2013) 529-533 Space group: P 1 21/n 1 Cell volume: 3226.1 Cell parameters: 9.771; 16.807; 19.692; 90; 93.976; 90; |
COD ID: 2018947 | |
CIF file | Formula: - C20 H16 N4 - Comments: Bats, Jan W.; Schell, Peter; Engels, Joachim W. Biphenyl- and phenylnaphthalenyl-substituted 1<i>H</i>-imidazole-4,5-dicarbonitrile catalysts for the coupling reaction of nucleoside methyl phosphonamidites Acta Crystallographica Section C 69(5) (2013) 529-533 Space group: P 1 21/c 1 Cell volume: 1691.1 Cell parameters: 12.373; 10.303; 13.279; 90; 92.578; 90; |
COD ID: 2018948 | |
CIF file | Formula: - C23 H16 N4 - Comments: Bats, Jan W.; Schell, Peter; Engels, Joachim W. Biphenyl- and phenylnaphthalenyl-substituted 1<i>H</i>-imidazole-4,5-dicarbonitrile catalysts for the coupling reaction of nucleoside methyl phosphonamidites Acta Crystallographica Section C 69(5) (2013) 529-533 Space group: P c a 21 Cell volume: 1801.2 Cell parameters: 16.7042; 7.1632; 15.0528; 90; 90; 90; |
COD ID: 2018949 | |
CIF file | Formula: - C17 H10 I2 O9 Pb2 - Comments: Luo, Shao-Hua Poly[bis(μ-5-iodoisophthalato)(methanol)dilead(II)] exhibiting a novel centrosymmetric rhombus-shaped I~4~ unit Acta Crystallographica Section C 69(5) (2013) 494-497 Space group: P 1 21/c 1 Cell volume: 2119.9 Cell parameters: 4.3137; 27.918; 17.6437; 90; 93.897; 90; |
COD ID: 2018950 | |
CIF file | Formula: - C79 H60 Cl2 F4 Ir2 N4 O8 S4 - Comments: Mesto, Ernesto; Scordari, Fernando; Lacalamita, Maria; De Cola, Luisa; Ragni, Roberta; Farinola, Gianluca Maria The correct assignment of stereochemistry in di-μ-dichlorido-bis{bis[2-(5-benzylsulfonyl)-3-fluoro-2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]iridium(III)} toluene monosolvate Acta Crystallographica Section C 69(5) (2013) 480-482 Space group: P -1 Cell volume: 3588.8 Cell parameters: 13.5049; 14.3144; 19.677; 89.772; 78.954; 74.262; |
COD ID: 2018951 | |
CIF file | Formula: - C8 H16 N2 O5 - Comments: Görbitz, Carl Henrik; Yadav, Vitthal N. A water wire in <small>L</small>-prolyl-<small>L</small>-serine monohydrate Acta Crystallographica Section C 69(5) (2013) 556-559 Space group: P 1 21 1 Cell volume: 1030.8 Cell parameters: 5.3101; 29.081; 6.6757; 90; 90.829; 90; |
COD ID: 2018952 | |
CIF file | Formula: - C59 H56 Cl N3 O16 - Comments: Gainsford, Graeme J.; Schwörer, Ralf; Tyler, Peter C. Translationally related nearly identical molecules: 4-methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3-<i>O</i>-benzyl-2-deoxy-4-<i>O</i>-(fluoren-9-ylmethoxycarbonyl)-α-<small>D</small>-glucopyranosyl]-2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-chloroacetyl-β-<small>D</small>-glucopyranoside Acta Crystallographica Section C 69(6) (2013) 679-682 Space group: P 1 21 1 Cell volume: 5337.9 Cell parameters: 10.454; 35.61; 14.408; 90; 95.61; 90; |
COD ID: 2018953 | |
CIF file | Formula: - C7 H11 N O7 S - Comments: Smith, Graham; Wermuth, Urs D. Hydrogen bonding in two ammonium salts of 5-sulfosalicylic acid: ammonium 3-carboxy-4-hydroxybenzenesulfonate monohydrate and triammonium 3-carboxy-4-hydroxybenzenesulfonate 3-carboxylato-4-hydroxybenzenesulfonate Acta Crystallographica Section C 69(5) (2013) 534-537 Space group: P 1 21/c 1 Cell volume: 1011.94 Cell parameters: 11.8476; 7.2879; 12.1343; 90; 105.018; 90; |
COD ID: 2018954 | |
CIF file | Formula: - C14 H21 N3 O12 S2 - Comments: Smith, Graham; Wermuth, Urs D. Hydrogen bonding in two ammonium salts of 5-sulfosalicylic acid: ammonium 3-carboxy-4-hydroxybenzenesulfonate monohydrate and triammonium 3-carboxy-4-hydroxybenzenesulfonate 3-carboxylato-4-hydroxybenzenesulfonate Acta Crystallographica Section C 69(5) (2013) 534-537 Space group: C 1 2 1 Cell volume: 1948.2 Cell parameters: 18.7682; 5.0027; 21.2122; 90; 101.99; 90; |
COD ID: 2018955 | |
CIF file | Formula: - C5 H16 Br2 N2 - Comments: Arderne, Charmaine Pentane-1,5-diaminium dibromide Acta Crystallographica Section C 69(5) (2013) 526-528 Space group: P 1 21/c 1 Cell volume: 2941.7 Cell parameters: 4.5971; 15.4607; 41.389; 90; 90.31; 90; |
COD ID: 2018956 | |
CIF file | Formula: - F In O5 Te2 - Comments: Jennene Boukharrata, Nefla; Duclère, Jean-René; Laval, Jean-Paul; Thomas, Philippe A new oxyfluorotellurate(IV), InTe~2~O~5~F Acta Crystallographica Section C 69(5) (2013) 460-462 Space group: C 2 2 21 Cell volume: 1029.9 Cell parameters: 6.964; 11.3; 13.088; 90; 90; 90; |
COD ID: 2018957 | |
CIF file | Formula: - C19 H20 Cl Cu N3 O4 - Comments: Wang, Min; Lian, Zhao-Xun <i>catena</i>-Poly[[[2-(2-chlorophenoxy)-<i>N</i>'-(2-oxidobenzylidene-κ<i>O</i>)acetohydrazidato-κ^2^<i>N</i>',<i>O</i>]copper(II)]-μ-morpholine-κ^2^<i>N</i>:<i>O</i>] Acta Crystallographica Section C 69(6) (2013) 594-596 Space group: P b c a Cell volume: 3922.6 Cell parameters: 12.1097; 12.7228; 25.46; 90; 90; 90; |
COD ID: 2018958 | |
CIF file | Formula: - C72 H68 Cl4 Cu8 N16 O16 S4 - Comments: Liu, Jian-Jun; Liao, Jian-Zhen; Li, Zuo-Yin; Wang, Yao; Huang, Chang-Cang Di-μ~2~-chlorido-dichloridobis(dimethylformamide)tetrakis[μ~3~-1-(2-oxidobenzoyl)-2-(2-oxo-2-phenylethanethioyl)hydrazine-1,2-diido]octacopper(II) dimethylformamide disolvate Acta Crystallographica Section C 69(6) (2013) 613-615 Space group: P 1 21/c 1 Cell volume: 4130.6 Cell parameters: 9.5672; 19.153; 23.006; 90; 101.53; 90; |
COD ID: 2018959 | |
CIF file | Formula: - C9 H20 O2 - Comments: Høgmoen Åstrand, Ove Alexander; Iqbal, Zeshan; Sandberg, Marcel; Kase, Eili T.; Görbitz, Carl Henrik; Rongved, Pål (2<i>S</i>,3<i>S</i>)-2,6-Dimethylheptane-1,3-diol, the oxygenated side chain of 22(<i>S</i>)-hydroxycholestrol, and its synthetic precursor (<i>R</i>)-4-benzyl-3-[(2<i>R</i>,3<i>S</i>)-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one Acta Crystallographica Section C 69(6) (2013) 647-650 Space group: P 21 21 21 Cell volume: 1018.6 Cell parameters: 5.964; 9.777; 17.469; 90; 90; 90; |
COD ID: 2018960 | |
CIF file | Formula: - C19 H27 N O4 - Comments: Høgmoen Åstrand, Ove Alexander; Iqbal, Zeshan; Sandberg, Marcel; Kase, Eili T.; Görbitz, Carl Henrik; Rongved, Pål (2<i>S</i>,3<i>S</i>)-2,6-Dimethylheptane-1,3-diol, the oxygenated side chain of 22(<i>S</i>)-hydroxycholestrol, and its synthetic precursor (<i>R</i>)-4-benzyl-3-[(2<i>R</i>,3<i>S</i>)-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one Acta Crystallographica Section C 69(6) (2013) 647-650 Space group: P 1 21 1 Cell volume: 968.3 Cell parameters: 11.459; 5.7077; 15.247; 90; 103.827; 90; |
COD ID: 2018961 | |
CIF file | Formula: - C18 H21 N5 O2 - Comments: Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J. Alogliptin and its benzoate salt Acta Crystallographica Section C 69(6) (2013) 674-678 Space group: P 1 Cell volume: 857.31 Cell parameters: 8.4528; 8.5689; 12.4424; 87.84; 72.284; 87.368; |
COD ID: 2018962 | |
CIF file | Formula: - C25 H27 N5 O4 - Comments: Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J. Alogliptin and its benzoate salt Acta Crystallographica Section C 69(6) (2013) 674-678 Space group: P 21 21 21 Cell volume: 2266.47 Cell parameters: 8.0666; 9.8727; 28.4593; 90; 90; 90; |
COD ID: 2018963 | |
CIF file | Formula: - C8 H12 Br4 - Comments: Kelch, André; Dix, Ina; Hopf, Henning; Jones, Peter G. Bromine‒bromine interactions in the packing of <i>cis</i>,<i>trans</i>,<i>cis</i>-1,2,3,4-tetrakis(bromomethyl)cyclobutane Acta Crystallographica Section C 69(6) (2013) 627-629 Space group: P 1 21/n 1 Cell volume: 583.4 Cell parameters: 7.41; 9.742; 8.64; 90; 110.7; 90; |
COD ID: 2018964 | |
CIF file | Formula: - C12 H17 N6 Ni O0.5 - Comments: Stolárová, Monika; Černák, Juraj; Tomás, Milagros; Falvello, Larry R. Crystal structure and thermal properties of a square-planar Ni^II^ complex of cyanide and a tricyclic bis-amidine ligand formed <i>in situ</i> under solvothermal conditions Acta Crystallographica Section C 69(6) (2013) 565-568 Space group: P b c n Cell volume: 2618.75 Cell parameters: 20.412; 7.173; 17.8858; 90; 90; 90; |
COD ID: 2018965 | |
CIF file | Formula: - C46 H37 Cl N6 O5 Zn - Comments: Zhou, Wen; Wang, Jian A one-dimensional zinc(II) coordination polymer incorporating [1,1'-biphenyl]-4,4'-dicarboxylate and <i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)-[1,1'-biphenyl]-4,4'-dicarboxamide ligands Acta Crystallographica Section C 69(5) (2013) 486-490 Space group: P -1 Cell volume: 1927.34 Cell parameters: 8.9365; 9.7815; 22.3819; 86.696; 80.675; 89.888; |
COD ID: 2018966 | |
CIF file | Formula: - C19 H19 N5 O7 S - Comments: Smith, Graham; Wermuth, Urs D. Proton-transfer compounds with 4-amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (sulfamethazine): the structures and hydrogen bonding in the salts with 5-nitrosalicylic acid and picric acid Acta Crystallographica Section C 69(5) (2013) 538-543 Space group: P 1 21/n 1 Cell volume: 4104.52 Cell parameters: 13.1611; 14.0977; 22.1219; 90; 90.094; 90; |
COD ID: 2018967 | |
CIF file | Formula: - C18 H17 N7 O9 S - Comments: Smith, Graham; Wermuth, Urs D. Proton-transfer compounds with 4-amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (sulfamethazine): the structures and hydrogen bonding in the salts with 5-nitrosalicylic acid and picric acid Acta Crystallographica Section C 69(5) (2013) 538-543 Space group: P 1 21/c 1 Cell volume: 2127.74 Cell parameters: 8.3131; 19.2779; 13.4483; 90; 99.158; 90; |
COD ID: 2018968 | |
CIF file | Formula: - C17 H11 Cl2 Cu N3 - Comments: Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Yeung, Bonnie M.; Connick, William B.; Collins, Sibrina N. X-ray and synchrotron diffraction studies of 2-(pyridin-2-yl)-1,10-phenanthroline in the role of ligand for two copper polymorphs or hydrogen bonded with 2,2,6,6-tetramethyl-4-oxopiperidinium hexafluorophosphate Acta Crystallographica Section C 69(5) (2013) 498-502 Space group: P -1 Cell volume: 743.36 Cell parameters: 7.4523; 8.8189; 12.1288; 103.263; 99.042; 101.361; |
COD ID: 2018969 | |
CIF file | Formula: - C17 H11 Cl2 Cu N3 - Comments: Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Yeung, Bonnie M.; Connick, William B.; Collins, Sibrina N. X-ray and synchrotron diffraction studies of 2-(pyridin-2-yl)-1,10-phenanthroline in the role of ligand for two copper polymorphs or hydrogen bonded with 2,2,6,6-tetramethyl-4-oxopiperidinium hexafluorophosphate Acta Crystallographica Section C 69(5) (2013) 498-502 Space group: P 1 21/c 1 Cell volume: 1480.13 Cell parameters: 11.863; 7.7022; 16.8882; 90; 106.424; 90; |
COD ID: 2018970 | |
CIF file | Formula: - C26 H29 F6 N4 O P - Comments: Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Yeung, Bonnie M.; Connick, William B.; Collins, Sibrina N. X-ray and synchrotron diffraction studies of 2-(pyridin-2-yl)-1,10-phenanthroline in the role of ligand for two copper polymorphs or hydrogen bonded with 2,2,6,6-tetramethyl-4-oxopiperidinium hexafluorophosphate Acta Crystallographica Section C 69(5) (2013) 498-502 Space group: P 1 21/c 1 Cell volume: 2520.4 Cell parameters: 8.1051; 21.714; 14.4087; 90; 96.337; 90; |
COD ID: 2018971 | |
CIF file | Formula: - C6 H8 Mn N2 O6 - Comments: Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Zhi Reversible high-temperature phase transition of a manganese(II) formate framework with imidazolium cations Acta Crystallographica Section C 69(6) (2013) 616-619 Space group: P 1 21/n 1 Cell volume: 1974.1 Cell parameters: 12.332; 12.461; 12.85; 90; 91.31; 90; |
COD ID: 2018972 | |
CIF file | Formula: - C6 H8 Mn N2 O6 - Comments: Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Zhi Reversible high-temperature phase transition of a manganese(II) formate framework with imidazolium cations Acta Crystallographica Section C 69(6) (2013) 616-619 Space group: P -4 21 m Cell volume: 502.44 Cell parameters: 8.8324; 8.8324; 6.4406; 90; 90; 90; |
COD ID: 2018973 | |
CIF file | Formula: - C26 H39 Mo N O5 - Comments: Sillanpää, Reijo; Hänninen, Mikko M. A cocrystal of two Mo^VI^ complexes bearing different diastereomers of the 2,4-di-<i>tert</i>-butyl-6-{[(1-oxido-1-phenylpropan-2-yl)(methyl)amino]methyl}phenolate ligand derived from (+)-ephedrine Acta Crystallographica Section C 69(5) (2013) 509-512 Space group: P 1 21 1 Cell volume: 2600.8 Cell parameters: 16.156; 8.4129; 20.3545; 90; 109.934; 90; |
COD ID: 2018974 | |
CIF file | Formula: - C32 H37 Cl2 N4 O10 Rh - Comments: Sivanesan, Dharmalingam; Kim, Hyung Min; Sungho, Yoon Chlorido(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')(η^5^-pentamethylcyclopentadienyl)rhodium(III) chloride 1-hydroxypyrrolidine-2,5-dione disolvate Acta Crystallographica Section C 69(6) (2013) 584-587 Space group: P 1 21/c 1 Cell volume: 3460.8 Cell parameters: 8.6511; 33.613; 11.9147; 90; 92.723; 90; |
COD ID: 2018975 | |
CIF file | Formula: - C12 H11 Cl N2 - Comments: Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding Isomeric 3- and 4-chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline Acta Crystallographica Section C 69(5) (2013) 522-525 Space group: C 1 2/c 1 Cell volume: 2264 Cell parameters: 23.722; 5.72; 16.868; 90; 98.404; 90; |
COD ID: 2018976 | |
CIF file | Formula: - C12 H11 Cl N2 - Comments: Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding Isomeric 3- and 4-chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline Acta Crystallographica Section C 69(5) (2013) 522-525 Space group: P 1 21/c 1 Cell volume: 1123.1 Cell parameters: 13.323; 9.802; 9.107; 90; 109.212; 90; |
COD ID: 2018977 | |
CIF file | Formula: - C72 H86 N4 O4 - Comments: Zhao, Hong-Bin; Chen, Liang; Wang, Bang-Ying; Liao, Jun-Xu; Xu, Yong-Jun <i>meso</i>-Tetrakis[4-(heptyloxy)phenyl]porphyrin Acta Crystallographica Section C 69(6) (2013) 651-653 Space group: P 1 21/c 1 Cell volume: 3104.6 Cell parameters: 15.9611; 19.1464; 10.162; 90; 91.335; 90; |
COD ID: 2018978 | |
CIF file | Formula: - C37 H52 Cl4 N8 O8 Zn2 - Comments: Wang, Ya-Qin; Xie, Fa-Zhi; Du, Lin Poly[[tetrachlorido{μ~4~-tetrakis[(pyridin-4-yl)oxymethyl]methane-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>'''}dizinc(II)] dimethylformamide tetrasolvate] Acta Crystallographica Section C 69(6) (2013) 577-580 Space group: P -4 21 c Cell volume: 2437 Cell parameters: 12.2905; 12.2905; 16.133; 90; 90; 90; |
COD ID: 2018979 | |
CIF file | Formula: - C38 H40 N4 O4 Pd2 - Comments: Komiya, Naruyoshi; Kageyama, Takeharu; Naito, Masaya; Naota, Takeshi A clothes-peg-shaped binuclear <i>trans</i>-bis(2-aminotroponato)palladium(II) complex bearing pentamethylene spacers Acta Crystallographica Section C 69(5) (2013) 503-505 Space group: P b c n Cell volume: 3352.9 Cell parameters: 16.282; 17.74; 11.608; 90; 90; 90; |
COD ID: 2018980 | |
CIF file | Formula: - C7 H11 N O7 - Comments: Arkhipov, Sergey G.; Zakharov, Boris A.; Boldyreva, Elena V. Semi-maleate salts of <small>L</small>- and <small>DL</small>-serinium: the first example of chiral and racemic serinium salts with the same composition and stoichiometry Acta Crystallographica Section C 69(5) (2013) 517-521 Space group: P 1 21 1 Cell volume: 472.22 Cell parameters: 6.9527; 6.5631; 10.4284; 90; 97.094; 90; |
COD ID: 2018981 | |
CIF file | Formula: - C7 H11 N O7 - Comments: Arkhipov, Sergey G.; Zakharov, Boris A.; Boldyreva, Elena V. Semi-maleate salts of <small>L</small>- and <small>DL</small>-serinium: the first example of chiral and racemic serinium salts with the same composition and stoichiometry Acta Crystallographica Section C 69(5) (2013) 517-521 Space group: P -1 Cell volume: 474.5 Cell parameters: 5.9406; 8.9527; 9.3796; 79.239; 75.528; 86.771; |
COD ID: 2018982 | |
CIF file | Formula: - C56 H40 Cl2 Cu N8 O18 - Comments: Wu, Xiang-Wen; Xin, Meng-Meng; Ma, Jian-Ping; Wu, Zhen-Hua; Dong, Yu-Bin The coordination chemistry of two symmetric double-armed oxadiazole-bridged organic ligands with copper salts Acta Crystallographica Section C 69(6) (2013) 601-605 Space group: P -1 Cell volume: 1394.8 Cell parameters: 10.342; 10.408; 15.633; 72.226; 82.736; 60.549; |
COD ID: 2018983 | |
CIF file | Formula: - C60 H46 Cu4 I4 N10 O10 - Comments: Wu, Xiang-Wen; Xin, Meng-Meng; Ma, Jian-Ping; Wu, Zhen-Hua; Dong, Yu-Bin The coordination chemistry of two symmetric double-armed oxadiazole-bridged organic ligands with copper salts Acta Crystallographica Section C 69(6) (2013) 601-605 Space group: P -1 Cell volume: 1650.4 Cell parameters: 9.26; 12.597; 15.623; 96.709; 102.843; 108.464; |
COD ID: 2018984 | |
CIF file | Formula: - As4 Cd5 Rb2 - Comments: He, Hua; Stoyko, Stanislav S.; Mar, Arthur; Bobev, Svilen Ternary K~2~Zn~5~As~4~-type pnictides Rb~2~Cd~5~As~4~ and Rb~2~Zn~5~Sb~4~, and the solid solution Rb~2~Cd~5~(As,Sb)~4~ Acta Crystallographica Section C 69(5) (2013) 455-459 Space group: C m c m Cell volume: 1179.7 Cell parameters: 12.432; 7.587; 12.507; 90; 90; 90; |
COD ID: 2018985 | |
CIF file | Formula: - Rb2 Sb4 Zn5 - Comments: He, Hua; Stoyko, Stanislav S.; Mar, Arthur; Bobev, Svilen Ternary K~2~Zn~5~As~4~-type pnictides Rb~2~Cd~5~As~4~ and Rb~2~Zn~5~Sb~4~, and the solid solution Rb~2~Cd~5~(As,Sb)~4~ Acta Crystallographica Section C 69(5) (2013) 455-459 Space group: C m c m Cell volume: 1165.71 Cell parameters: 12.3975; 7.5516; 12.4514; 90; 90; 90; |
COD ID: 2018986 | |
CIF file | Formula: - As3 Cd5 Rb2 Sb - Comments: He, Hua; Stoyko, Stanislav S.; Mar, Arthur; Bobev, Svilen Ternary K~2~Zn~5~As~4~-type pnictides Rb~2~Cd~5~As~4~ and Rb~2~Zn~5~Sb~4~, and the solid solution Rb~2~Cd~5~(As,Sb)~4~ Acta Crystallographica Section C 69(5) (2013) 455-459 Space group: C m c m Cell volume: 1221.73 Cell parameters: 12.6086; 7.6761; 12.6232; 90; 90; 90; |
COD ID: 2018987 | |
CIF file | Formula: - C19 H15 N3 O3 - Comments: Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith N—H···O and N—H···N interactions in three pyran derivatives Acta Crystallographica Section C 69(6) (2013) 642-646 Space group: C 1 2/c 1 Cell volume: 3228 Cell parameters: 18.6202; 11.7427; 14.9474; 90; 98.999; 90; |
COD ID: 2018988 | |
CIF file | Formula: - C19 H14 F N3 O3 - Comments: Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith N—H···O and N—H···N interactions in three pyran derivatives Acta Crystallographica Section C 69(6) (2013) 642-646 Space group: P -1 Cell volume: 830.7 Cell parameters: 7.6736; 8.6808; 13.152; 81.498; 75.721; 79.851; |
COD ID: 2018989 | |
CIF file | Formula: - C19 H14 Cl N3 O3 - Comments: Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith N—H···O and N—H···N interactions in three pyran derivatives Acta Crystallographica Section C 69(6) (2013) 642-646 Space group: P -1 Cell volume: 891.39 Cell parameters: 9.4556; 9.9562; 11.1806; 95.81; 111.785; 109.362; |
COD ID: 2018990 | |
CIF file | Formula: - C11 H12 N2 O2 - Comments: Mitchell, Lauren A.; Stanley, Julie M.; Espinosa De Hoyos, Liliana; Holliday, Bradley J. A comparison of 3,4,6a,7,10,10a-hexahydro-7,10-epoxypyrimido[2,1-<i>a</i>]isoindol-6(2<i>H</i>)-one and 2-(2-aminoethyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-epoxyisoindole-1,3(2<i>H</i>)-dione: structural and reactivity differences of two homologous tricyclic imides Acta Crystallographica Section C 69(6) (2013) 638-641 Space group: P 1 21/c 1 Cell volume: 952.8 Cell parameters: 4.916; 8.998; 21.604; 90; 94.445; 90; |
COD ID: 2018991 | |
CIF file | Formula: - C10 H12 N2 O3 - Comments: Mitchell, Lauren A.; Stanley, Julie M.; Espinosa De Hoyos, Liliana; Holliday, Bradley J. A comparison of 3,4,6a,7,10,10a-hexahydro-7,10-epoxypyrimido[2,1-<i>a</i>]isoindol-6(2<i>H</i>)-one and 2-(2-aminoethyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-epoxyisoindole-1,3(2<i>H</i>)-dione: structural and reactivity differences of two homologous tricyclic imides Acta Crystallographica Section C 69(6) (2013) 638-641 Space group: P 1 21/c 1 Cell volume: 1941.9 Cell parameters: 17.84; 6.8747; 16.2125; 90; 102.419; 90; |
COD ID: 2018992 | |
CIF file | Formula: - C10 H5 Ag2 N3 O4 - Comments: Deng, Zhi-He; Peng, Zhen-Jian; Huang, Jun A new three-dimensional silver(I) coordination framework with a diamondoid topology constructed from 2-(pyridin-4-yl)-1<i>H</i>-imidazole-4,5-dicarboxylic acid Acta Crystallographica Section C 69(5) (2013) 467-470 Space group: C 1 c 1 Cell volume: 1085.6 Cell parameters: 5.218; 20.188; 10.503; 90; 101.139; 90; |
COD ID: 2018993 | |
CIF file | Formula: - C12 H12 Cl4 N10 Zn - Comments: Paciorek, Patrycja; Szklarzewicz, Janusz; Nitek, Wojciech A simple and safe method for the preparation of bis[2-(2<i>H</i>-tetrazol-5-yl)pyridinium] tetrachloridozincate(II) Acta Crystallographica Section C 69(5) (2013) 513-516 Space group: P -1 Cell volume: 991.3 Cell parameters: 9.196; 10.491; 11.186; 102.407; 98.185; 105.697; |
COD ID: 2018994 | |
CIF file | Formula: - C10 H16 Cd Cl3 N - Comments: Wu, De-Hong; Jin, Lei A one-dimensional <i>ABX</i>~3~-type coordination polymer: <i>catena</i>-poly[benzyltrimethylammonium [tri-μ-chlorido-cadmium(II)]] Acta Crystallographica Section C 69(5) (2013) 491-493 Space group: P n a 21 Cell volume: 1382.7 Cell parameters: 6.7538; 22.852; 8.959; 90; 90; 90; |
COD ID: 2018995 | |
CIF file | Formula: - C15 H21 Na Ni O6 - Comments: Baldo, Bianca; Cruz, Carlos; Venegas-Yazigi, Diego; Vega, Andres; Paredes-García, Verónica <i>catena</i>-Poly[tris(μ~3~-acetylacetonato)nickelate(II)sodium(I)] Acta Crystallographica Section C 69(5) (2013) 506-508 Space group: R -3 c :H Cell volume: 2633.6 Cell parameters: 16.133; 16.133; 11.684; 90; 90; 120; |
COD ID: 2018996 | |
CIF file | Formula: - C13 H12 N4 O - Comments: Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N. Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides Acta Crystallographica Section C 69(5) (2013) 549-555 Space group: P -1 Cell volume: 598.97 Cell parameters: 7.4961; 7.6923; 10.8821; 73.421; 84.844; 88.53; |
COD ID: 2018997 | |
CIF file | Formula: - C14 H14 N4 O2 - Comments: Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N. Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides Acta Crystallographica Section C 69(5) (2013) 549-555 Space group: P -1 Cell volume: 642.2 Cell parameters: 4.032; 10.628; 15.034; 94.08; 90.36; 92.07; |
COD ID: 2018998 | |
CIF file | Formula: - C14 H15 N5 O3 - Comments: Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N. Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides Acta Crystallographica Section C 69(5) (2013) 549-555 Space group: P 1 21/c 1 Cell volume: 1462.9 Cell parameters: 19.395; 3.9517; 23.27; 90; 124.89; 90; |
COD ID: 2018999 | |
CIF file | Formula: - C13 H11 N5 O3 - Comments: Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N. Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides Acta Crystallographica Section C 69(5) (2013) 549-555 Space group: C 1 2/c 1 Cell volume: 2628.7 Cell parameters: 17.51; 10.5421; 14.9638; 90; 107.887; 90; |
COD ID: 2019000 | |
CIF file | Formula: - C13 H11 N5 O3 - Comments: Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N. Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides Acta Crystallographica Section C 69(5) (2013) 549-555 Space group: P 1 21/c 1 Cell volume: 1261.33 Cell parameters: 3.7974; 33.3126; 10.0959; 90; 99.027; 90; |
COD ID: 2019001 | |
CIF file | Formula: - C18 H31 K O - Comments: Seidel, Rüdiger W.; Ganesamoorthy, Chelladurai; Loerke, Sinah; Winter, Manuela V.; Gemel, Christian; Fischer, Roland A. <i>catena</i>-Poly[[(tetrahydrofuran-κ<i>O</i>)potassium]-μ-(η^5^:η^5^)-2,3,4,5-tetramethyl-1-<i>n</i>-pentylcyclopentadienyl] Acta Crystallographica Section C 69(6) (2013) 573-576 Space group: P 1 21/n 1 Cell volume: 1855.71 Cell parameters: 11.5883; 10.3101; 15.5888; 90; 94.891; 90; |
COD ID: 2019002 | |
CIF file | Formula: - C12 H16 Br2 Cu N2 O3 - Comments: Lah, Nina; Lapanje, Katja Bromidobis[2-(pyridin-2-yl)methanol-κ^2^<i>N</i>,<i>O</i>]copper(II) bromide monohydrate Acta Crystallographica Section C 69(6) (2013) 624-626 Space group: P -1 Cell volume: 797.24 Cell parameters: 7.9681; 9.8543; 11.1812; 74.974; 72.481; 76.59; |
COD ID: 2019003 | |
CIF file | Formula: - C16 H9 F N2 S - Comments: Trilleras, Jorge; Velásquez, Kelly; Cobo, Justo; Glidewell, Christopher (<i>E</i>)-2-(1,3-Benzothiazol-2-yl)-3-(4-fluorophenyl)acrylonitrile: a chain of π-stacked hydrogen-bonded rings Acta Crystallographica Section C 69(6) (2013) 671-673 Space group: P 1 21/n 1 Cell volume: 1264.8 Cell parameters: 8.2432; 13.327; 11.6819; 90; 99.743; 90; |
COD ID: 2019004 | |
CIF file | Formula: - C19 H30 N2 O4 - Comments: Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Remko, Milan An orthorhombic polymorph of a cyclization product of perindopril Acta Crystallographica Section C 69(6) (2013) 630-633 Space group: P 21 21 21 Cell volume: 3925.3 Cell parameters: 9.2089; 17.9875; 23.697; 90; 90; 90; |
COD ID: 2019005 | |
CIF file | Formula: - C19 H30 N2 O4 - Comments: Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Remko, Milan An orthorhombic polymorph of a cyclization product of perindopril Acta Crystallographica Section C 69(6) (2013) 630-633 Space group: P 41 21 2 Cell volume: 3846 Cell parameters: 9.2606; 9.2606; 44.847; 90; 90; 90; |
COD ID: 2019006 | |
CIF file | Formula: - C10 H13 N O4 - Comments: Moreno-Fuquen, Rodolfo; Hernandez, Geraldine; Kennedy, Alan R.; Morrison, Catriona A. Supramolecular study, Hirshfeld analysis and theoretical study of 6-methoxyquinoline <i>N</i>-oxide dihydrate Acta Crystallographica Section C 69(6) (2013) 665-670 Space group: P 1 21 1 Cell volume: 530.48 Cell parameters: 5; 17.1211; 6.4421; 90; 105.864; 90; |
COD ID: 2019007 | |
CIF file | Formula: - C14 H22 O6 - Comments: Gainsford, Graeme J.; Hinkley, Simon Alkyl levulinates as `green chemistry' precursors: butane-1,4-diyl bis(4-oxopentanoate) and hexane-1,6-diyl bis(4-oxopentanoate) Acta Crystallographica Section C 69(6) (2013) 654-657 Space group: P 1 21/c 1 Cell volume: 741.24 Cell parameters: 13.4857; 5.0971; 11.5521; 90; 111.018; 90; |
COD ID: 2019008 | |
CIF file | Formula: - C16 H26 O6 - Comments: Gainsford, Graeme J.; Hinkley, Simon Alkyl levulinates as `green chemistry' precursors: butane-1,4-diyl bis(4-oxopentanoate) and hexane-1,6-diyl bis(4-oxopentanoate) Acta Crystallographica Section C 69(6) (2013) 654-657 Space group: P 1 21/c 1 Cell volume: 829.41 Cell parameters: 14.9937; 5.0837; 11.4485; 90; 108.11; 90; |
COD ID: 2019009 | |
CIF file | Formula: - C42 H20 Fe6 O16 P2 S4 - Comments: Shi, Yao-Cheng; Cheng, Huan-Ren; Cheng, Da-Cong A novel hexairon cluster with one disulfide and two Ph~2~PCS^3{-^} ligands Acta Crystallographica Section C 69(6) (2013) 581-583 Space group: P -1 Cell volume: 1228.5 Cell parameters: 10.5129; 10.5849; 12.7572; 83.6258; 87.7599; 60.5657; |
COD ID: 2019010 | |
CIF file | Formula: - C16 H38 Cl4 In2 O4 Si2 - Comments: Scholz, Stefan; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram An approach to creating novel anions: silylated triel compounds with ‒CH~2~‒ and ‒O‒ linkers, [InCl~2~{O(HO)Si(<i>t</i>-Bu)~2~}]~2~ and Li[B(CH~2~SiMe~3~)~4~] Acta Crystallographica Section C 69(6) (2013) 569-572 Space group: P 1 21/c 1 Cell volume: 1450.5 Cell parameters: 8.3467; 10.453; 16.7393; 90; 96.689; 90; |
COD ID: 2019011 | |
CIF file | Formula: - C32 H76 B Li O4 Si4 - Comments: Scholz, Stefan; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram An approach to creating novel anions: silylated triel compounds with ‒CH~2~‒ and ‒O‒ linkers, [InCl~2~{O(HO)Si(<i>t</i>-Bu)~2~}]~2~ and Li[B(CH~2~SiMe~3~)~4~] Acta Crystallographica Section C 69(6) (2013) 569-572 Space group: P 1 n 1 Cell volume: 2244.8 Cell parameters: 10.5661; 11.7334; 18.1342; 90; 93.153; 90; |
COD ID: 2019012 | |
CIF file | Formula: - C58 H64 S8 - Comments: Gao, Libin Synthesis and photophysical properties of 2,5,8,11-tetrakis(5-hexylthiophen-2-yl)tetrathieno[2,3-<i>a</i>:3',2'-<i>c</i>:2'',3''-<i>f</i>:3''',2'''-<i>h</i>]naphthalene Acta Crystallographica Section C 69(6) (2013) 634-637 Space group: P 1 21/c 1 Cell volume: 2590.6 Cell parameters: 16.735; 6.4066; 24.197; 90; 93.0512; 90; |
COD ID: 2019013 | |
CIF file | Formula: - C18 H28 Co N14 O2 S2 - Comments: Tao, Jian-Qing; Mao, Dan; Wang, Jun Magnetic investigations of a two-dimensional coordination polymer with a three-dimensional supramolecular framework: poly[[bis[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]bis(thiocyanato-κ<i>N</i>)cobalt(II)] dihydrate] Acta Crystallographica Section C 69(6) (2013) 597-600 Space group: P -1 Cell volume: 665.97 Cell parameters: 7.7131; 9.26; 10.2716; 113.988; 91.893; 94.895; |
COD ID: 2019014 | |
CIF file | Formula: - C8 H18 Cd2 Cl4 N2 O6 - Comments: Xu, Xiao-Juan; Miao, Jian-Yun; Wang, Jun A novel two-dimensional coordination polymer: poly[diaquatetra-μ~2~-chlorido-[μ~2~-2,2'-(piperazine-1,4-diium-1,4-diyl)diacetate]dicadmium(II)] Acta Crystallographica Section C 69(6) (2013) 620-623 Space group: P 1 21/c 1 Cell volume: 852.2 Cell parameters: 8.7426; 14.3464; 7.2686; 90; 110.808; 90; |
COD ID: 2019015 | |
CIF file | Formula: - C17 H11 Cl N2 - Comments: Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher A chain of π-stacked molecules in 4-(2-chlorophenyl)pyrrolo[1,2-<i>a</i>]quinoxaline and a hydrogen-bonded sheet in (4<i>RS</i>)-4-(1,3-1,3-benzodioxol-6-yl)-4,5-dihydropyrrolo[1,2-<i>a</i>]quinoxaline Acta Crystallographica Section C 69(5) (2013) 544-548 Space group: P 1 21/c 1 Cell volume: 1291.8 Cell parameters: 13.5649; 11.8142; 8.1678; 90; 99.281; 90; |
COD ID: 2019016 | |
CIF file | Formula: - C18 H14 N2 O2 - Comments: Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher A chain of π-stacked molecules in 4-(2-chlorophenyl)pyrrolo[1,2-<i>a</i>]quinoxaline and a hydrogen-bonded sheet in (4<i>RS</i>)-4-(1,3-1,3-benzodioxol-6-yl)-4,5-dihydropyrrolo[1,2-<i>a</i>]quinoxaline Acta Crystallographica Section C 69(5) (2013) 544-548 Space group: C 1 2/c 1 Cell volume: 2801.2 Cell parameters: 26.59; 6.289; 17.2655; 90; 104.017; 90; |
COD ID: 2019017 | |
CIF file | Formula: - C21 H21 P - Comments: Levason, William; Pugh, David; Reid, Gillian Tribenzylphosphane and its hydrochloride salt, tribenzylphosphonium hydrogen dichloride‒tribenzylphosphane (1/1) Acta Crystallographica Section C 69(5) (2013) 560-564 Space group: P 1 21/n 1 Cell volume: 1677.3 Cell parameters: 10.9287; 9.5775; 16.0272; 90; 91.051; 90; |
COD ID: 2019018 | |
CIF file | Formula: - C42 H44 Cl2 P2 - Comments: Levason, William; Pugh, David; Reid, Gillian Tribenzylphosphane and its hydrochloride salt, tribenzylphosphonium hydrogen dichloride‒tribenzylphosphane (1/1) Acta Crystallographica Section C 69(5) (2013) 560-564 Space group: R 3 :H Cell volume: 2641.3 Cell parameters: 13.941; 13.941; 15.693; 90; 90; 120; |
COD ID: 2019019 | |
CIF file | Formula: - C30 H48 Mo24 N12 O80 P2 - Comments: Zhang, Qian; Liu, Jie; Lu, Jing; Gong, Shu-Wen Two polyoxometallate-based supramolecular compounds influenced by the ratio between the polyoxometallate anion and organic cation Acta Crystallographica Section C 69(6) (2013) 588-593 Space group: P -1 Cell volume: 2250.9 Cell parameters: 11.838; 12.1071; 17.8029; 74.134; 71.044; 71.872; |
COD ID: 2019020 | |
CIF file | Formula: - C20 H34 Mo12 N8 O42 P - Comments: Zhang, Qian; Liu, Jie; Lu, Jing; Gong, Shu-Wen Two polyoxometallate-based supramolecular compounds influenced by the ratio between the polyoxometallate anion and organic cation Acta Crystallographica Section C 69(6) (2013) 588-593 Space group: P -1 Cell volume: 1320.5 Cell parameters: 11.235; 11.7211; 11.8459; 102.194; 98.184; 115.998; |
COD ID: 2019021 | |
CIF file | Formula: - C12 H13 Mn N O6 - Comments: Huang, Xiao-Hui A three-dimensional manganese(II) metal‒organic framework based on 5-methoxybenzene-1,3-dicarboxylic acid and exhibiting a pts net Acta Crystallographica Section C 69(5) (2013) 483-485 Space group: P n a 21 Cell volume: 1271.9 Cell parameters: 7.437; 15.164; 11.278; 90; 90; 90; |
COD ID: 2019022 | |
CIF file | Formula: - C6 H15 N O7 S - Comments: Benylles, Amina; Cairns, Donald; Cox, Philip J.; Kay, Graeme Three salts from the reactions of cysteamine and cystamine with <small>L</small>-(+)-tartaric acid Acta Crystallographica Section C 69(6) (2013) 658-664 Space group: P 21 21 21 Cell volume: 1089.73 Cell parameters: 7.063; 10.3833; 14.8591; 90; 90; 90; |
COD ID: 2019023 | |
CIF file | Formula: - C8 H18 N2 O6 S2 - Comments: Benylles, Amina; Cairns, Donald; Cox, Philip J.; Kay, Graeme Three salts from the reactions of cysteamine and cystamine with <small>L</small>-(+)-tartaric acid Acta Crystallographica Section C 69(6) (2013) 658-664 Space group: P 21 21 21 Cell volume: 1324.46 Cell parameters: 5.7281; 9.3699; 24.677; 90; 90; 90; |
COD ID: 2019024 | |
CIF file | Formula: - C12 H28 N2 O14 S2 - Comments: Benylles, Amina; Cairns, Donald; Cox, Philip J.; Kay, Graeme Three salts from the reactions of cysteamine and cystamine with <small>L</small>-(+)-tartaric acid Acta Crystallographica Section C 69(6) (2013) 658-664 Space group: P 21 21 21 Cell volume: 2084.8 Cell parameters: 7.3425; 10.5227; 26.983; 90; 90; 90; |
COD ID: 2019025 | |
CIF file | Formula: - C18 H30 Cd Cl4 N2 O6 P2 - Comments: Du, Chao-Jun; Wang, Li-Sheng 1,4-Bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocadmate(II) dihydrate and the cobaltate(II) analogue Acta Crystallographica Section C 69(7) (2013) 738-741 Space group: P -1 Cell volume: 1347.03 Cell parameters: 6.6159; 14.5242; 14.5449; 87.035; 81.713; 76.947; |
COD ID: 2019026 | |
CIF file | Formula: - C18 H30 Cl4 Co N2 O6 P2 - Comments: Du, Chao-Jun; Wang, Li-Sheng 1,4-Bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocadmate(II) dihydrate and the cobaltate(II) analogue Acta Crystallographica Section C 69(7) (2013) 738-741 Space group: P -1 Cell volume: 1334.3 Cell parameters: 6.6448; 14.4213; 14.4804; 87.523; 80.727; 76.99; |
COD ID: 2019027 | |
CIF file | Formula: - C12 H21 N3 O2 S - Comments: Kaupang, Åsmund; Görbitz, Carl Henrik; Bonge-Hansen, Tore A solid-state oxidation of 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfinate to 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfonate Acta Crystallographica Section C 69(7) (2013) 778-780 Space group: P 1 21/c 1 Cell volume: 1411.59 Cell parameters: 11.0959; 7.4038; 17.1944; 90; 92.115; 90; |
COD ID: 2019028 | |
CIF file | Formula: - C12 H21 N3 O2.82 S - Comments: Kaupang, Åsmund; Görbitz, Carl Henrik; Bonge-Hansen, Tore A solid-state oxidation of 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfinate to 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfonate Acta Crystallographica Section C 69(7) (2013) 778-780 Space group: P 1 21/c 1 Cell volume: 1487.5 Cell parameters: 11.185; 7.648; 17.415; 90; 93.169; 90; |
COD ID: 2019029 | |
CIF file | Formula: - C9 H13 N5 O6 - Comments: Novaković, Sladjana B.; Bogdanović, Goran A.; Leovac, Vukadin M.; Rodić, Marko V.; Vojinović-Ješić, Ljiljana S.; Ivković, Sonja (<i>E</i>)-4-[(2-Carbamoylhydrazinylidene)methyl]-3-hydroxy-5-hydroxymethyl-2-methylpyridin-1-ium nitrate Acta Crystallographica Section C 69(7) (2013) 761-764 Space group: P -1 Cell volume: 608.09 Cell parameters: 7.1093; 8.1905; 11.6494; 110.117; 93.566; 104.589; |
COD ID: 2019030 | |
CIF file | Formula: - C50 H32 Fe2 O2 - Comments: Sachiko, Maki; Nishibori, Eiji; Aoyagi, Shinobu; Sakata, Makoto; Takata, Masaki; Kondo, Mio; Murata, Masaki; Sakamoto, Ryota; Nishihara, Hiroshi 1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone from synchrotron X-ray powder diffraction Acta Crystallographica Section C 69(7) (2013) 696-703 Space group: P -1 Cell volume: 1700.84 Cell parameters: 7.4412; 10.0576; 23.0738; 93.1684; 95.7542; 97.1347; |
COD ID: 2019031 | |
CIF file | Formula: - C50 H32 Fe2 O2 - Comments: Sachiko, Maki; Nishibori, Eiji; Aoyagi, Shinobu; Sakata, Makoto; Takata, Masaki; Kondo, Mio; Murata, Masaki; Sakamoto, Ryota; Nishihara, Hiroshi 1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone from synchrotron X-ray powder diffraction Acta Crystallographica Section C 69(7) (2013) 696-703 Space group: P -1 Cell volume: 1753.3 Cell parameters: 7.5426; 10.1265; 23.282; 92.5207; 95.7302; 97.0177; |
COD ID: 2019032 | |
CIF file | Formula: - C50 H32 Fe2 O2 - Comments: Sachiko, Maki; Nishibori, Eiji; Aoyagi, Shinobu; Sakata, Makoto; Takata, Masaki; Kondo, Mio; Murata, Masaki; Sakamoto, Ryota; Nishihara, Hiroshi 1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone from synchrotron X-ray powder diffraction Acta Crystallographica Section C 69(7) (2013) 696-703 Space group: P -1 Cell volume: 1844.56 Cell parameters: 7.756; 9.9761; 24.4467; 90.764; 101.61; 95.104; |
COD ID: 2019033 | |
CIF file | Formula: - C10 H22 O8 U - Comments: Savchenkov, Anton V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N. The first uranyl complexes with valerate ions Acta Crystallographica Section C 69(7) (2013) 721-726 Space group: C 1 2/m 1 Cell volume: 772.8 Cell parameters: 7.782; 10.802; 9.512; 90; 104.885; 90; |
COD ID: 2019034 | |
CIF file | Formula: - C15 H27 K O8 U - Comments: Savchenkov, Anton V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N. The first uranyl complexes with valerate ions Acta Crystallographica Section C 69(7) (2013) 721-726 Space group: C 2 2 21 Cell volume: 8444 Cell parameters: 17.294; 23.405; 20.862; 90; 90; 90; |
COD ID: 2019035 | |
CIF file | Formula: - C13.6 H24.4 Cl2 N0.8 Pd S3 - Comments: Dawe, Louise Nicole; Penney, Lisa; Black, Daniel A.; Miller, David O.; Lucas, C. Robert <i>cis</i>-Dichlorido(3,6,9-trithiabicyclo[9.3.1]pentadecane-κ^2^<i>S</i>^3^,<i>S</i>^6^)palladium(II) acetonitrile 0.8-solvate Acta Crystallographica Section C 69(7) (2013) 727-729 Space group: P b c a Cell volume: 3763.4 Cell parameters: 24.906; 18.144; 8.328; 90; 90; 90; |
COD ID: 2019036 | |
CIF file | Formula: - C30 H38 Cd N6 O8 S4 - Comments: Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo Two isomorphous transition metal complexes displaying a coordinated tetrathionate unit: bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate and the zinc(II) analogue Acta Crystallographica Section C 69(7) (2013) 745-749 Space group: C 1 2/c 1 Cell volume: 3715.2 Cell parameters: 20.7076; 10.7885; 17.5044; 90; 108.187; 90; |
COD ID: 2019037 | |
CIF file | Formula: - C30 H38 N6 O8 S4 Zn - Comments: Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo Two isomorphous transition metal complexes displaying a coordinated tetrathionate unit: bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate and the zinc(II) analogue Acta Crystallographica Section C 69(7) (2013) 745-749 Space group: C 1 2/c 1 Cell volume: 3650.6 Cell parameters: 20.8508; 10.8334; 16.9888; 90; 107.956; 90; |
COD ID: 2019038 | |
CIF file | Formula: - Co6 Sn20 Tm2.22 - Comments: Stetskiv, Andrij; Rozdzynska-Kielbik, Beata; Pavlyuk, Volodymyr Tm~2.22~Co~6~Sn~20~ and TmLi~2~Co~6~Sn~20~ stannides as disordered derivatives of the Cr~23~C~6~ structure type Acta Crystallographica Section C 69(7) (2013) 683-688 Space group: F m -3 m Cell volume: 2480.4 Cell parameters: 13.5365; 13.5365; 13.5365; 90; 90; 90; |
COD ID: 2019039 | |
CIF file | Formula: - Co6 Li2 Sn20 Tm - Comments: Stetskiv, Andrij; Rozdzynska-Kielbik, Beata; Pavlyuk, Volodymyr Tm~2.22~Co~6~Sn~20~ and TmLi~2~Co~6~Sn~20~ stannides as disordered derivatives of the Cr~23~C~6~ structure type Acta Crystallographica Section C 69(7) (2013) 683-688 Space group: F m -3 m Cell volume: 2480.7 Cell parameters: 13.5371; 13.5371; 13.5371; 90; 90; 90; |
COD ID: 2019040 | |
CIF file | Formula: - C16 H34 Li4 N8 O19 S4 - Comments: Golovnev, Nikolay; Molokeev, Maxim Bridging behaviour of the 2-thiobarbiturate anion in its complexes with Li^I^ and Na^I^ Acta Crystallographica Section C 69(7) (2013) 704-708 Space group: P n a 21 Cell volume: 3460.6 Cell parameters: 18.1669; 7.2059; 26.435; 90; 90; 90; |
COD ID: 2019041 | |
CIF file | Formula: - C8 H16 N4 Na2 O9 S2 - Comments: Golovnev, Nikolay; Molokeev, Maxim Bridging behaviour of the 2-thiobarbiturate anion in its complexes with Li^I^ and Na^I^ Acta Crystallographica Section C 69(7) (2013) 704-708 Space group: P -1 Cell volume: 848.8 Cell parameters: 7.4043; 10.6987; 11.4837; 101.175; 106.932; 92.527; |
COD ID: 2019042 | |
CIF file | Formula: - C28 H24 N12 O14 S2 Zn2 - Comments: Zhao, Hang-Ju; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin Zn^II^ and Cu^II^ complexes generated from 5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione Acta Crystallographica Section C 69(7) (2013) 716-720 Space group: P 1 21/n 1 Cell volume: 1852.4 Cell parameters: 7.8239; 11.033; 21.677; 90; 98.125; 90; |
COD ID: 2019043 | |
CIF file | Formula: - C32.5 H31.5 Cl3 Cu N11.5 O8 S2 - Comments: Zhao, Hang-Ju; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin Zn^II^ and Cu^II^ complexes generated from 5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione Acta Crystallographica Section C 69(7) (2013) 716-720 Space group: P -1 Cell volume: 1969.8 Cell parameters: 12.012; 13.225; 14.402; 99.751; 110.223; 106.204; |
COD ID: 2019044 | |
CIF file | Formula: - C11 H12 O4 - Comments: Paz, Cristian; Moreno, Yanko; Becerra, José; Silva, Mario; Burgos, Viviana; Freire, Eleonora; Baggio, Ricardo (<i>E</i>)-Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate: a natural polymorph extracted from <i>Aristotelia chilensis</i> (Maqui) Acta Crystallographica Section C 69(7) (2013) 765-769 Space group: P 1 21/c 1 Cell volume: 1051.31 Cell parameters: 7.7326; 10.9427; 12.6997; 90; 101.948; 90; |
COD ID: 2019045 | |
CIF file | Formula: - C18 H46 Cl2 N2 O2 Si2 - Comments: Wen, Mei-Feng; Lin, Bi-Ting; He, Chang-Shuai; Wu, Jian-Zhong Hydrogen-bonding network of <i>N</i>,<i>N</i>'-bis[2-(<i>tert</i>-butyldimethylsiloxy)ethyl]ethylenediammonium dichloride Acta Crystallographica Section C 69(7) (2013) 787-789 Space group: P -1 Cell volume: 658.57 Cell parameters: 6.2088; 6.4128; 18.7953; 88.989; 87.64; 61.736; |
COD ID: 2019046 | |
CIF file | Formula: - C82 H72 N2 O4 Si4 - Comments: Cascarano, Giovanni L.; Ferguson, George; Giacovazzo, Carmelo; Glidewell, Christopher; Spek, Anthony L. Triphenylsilanol‒4,4'-bipyridyl (4/1): the <i>Z</i>' = 4 polymorph revisited Acta Crystallographica Section C 69(7) (2013) 774-777 Space group: P -1 Cell volume: 13671 Cell parameters: 20.787; 24.404; 29.456; 83.68; 89.65; 67.11; |
COD ID: 2019047 | |
CIF file | Formula: - C19 H24 N4 O2 S - Comments: Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław Three new olanzapine structures: the acetic acid monosolvate, and the propan-2-ol and propan-2-one hemisolvate monohydrates Acta Crystallographica Section C 69(7) (2013) 781-786 Space group: P 1 21/c 1 Cell volume: 1895.61 Cell parameters: 10.1474; 12.8562; 14.5494; 90; 92.92; 90; |
COD ID: 2019048 | |
CIF file | Formula: - C18.5 H26 N4 O1.5 S - Comments: Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław Three new olanzapine structures: the acetic acid monosolvate, and the propan-2-ol and propan-2-one hemisolvate monohydrates Acta Crystallographica Section C 69(7) (2013) 781-786 Space group: C 1 2/c 1 Cell volume: 3835.01 Cell parameters: 24.5414; 12.5088; 15.3096; 90; 125.314; 90; |
COD ID: 2019049 | |
CIF file | Formula: - C18.5 H25 N4 O1.5 S - Comments: Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław Three new olanzapine structures: the acetic acid monosolvate, and the propan-2-ol and propan-2-one hemisolvate monohydrates Acta Crystallographica Section C 69(7) (2013) 781-786 Space group: C 1 2/c 1 Cell volume: 3796.3 Cell parameters: 24.5759; 12.5608; 15.1607; 90; 125.79; 90; |
COD ID: 2019050 | |
CIF file | Formula: - C10 H11 Br O4 - Comments: Saeed, Aamer; Qasim, Muhammad; Simpson, Jim Br···O contacts and π‒π stacking dominate the packing in methyl 4-bromo-3,5-dimethoxybenzoate Acta Crystallographica Section C 69(7) (2013) 790-793 Space group: F d d 2 Cell volume: 8453.8 Cell parameters: 19.1372; 63.972; 6.9053; 90; 90; 90; |
COD ID: 2019051 | |
CIF file | Formula: - C15 H12 Cl N3 O5 - Comments: Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates Acta Crystallographica Section C 69(7) (2013) 754-760 Space group: P 1 21 1 Cell volume: 740.1 Cell parameters: 4.7546; 6.1071; 25.541; 90; 93.686; 90; |
COD ID: 2019052 | |
CIF file | Formula: - C15 H12 F N3 O5 - Comments: Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates Acta Crystallographica Section C 69(7) (2013) 754-760 Space group: P 1 21/n 1 Cell volume: 1491.5 Cell parameters: 4.5445; 16.5768; 19.812; 90; 92.107; 90; |
COD ID: 2019053 | |
CIF file | Formula: - C15 H11 N3 O2 - Comments: Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates Acta Crystallographica Section C 69(7) (2013) 754-760 Space group: P 1 21/c 1 Cell volume: 1213.2 Cell parameters: 5.9193; 28.138; 7.3091; 90; 94.762; 90; |
COD ID: 2019054 | |
CIF file | Formula: - C16 H13 N3 O2 - Comments: Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates Acta Crystallographica Section C 69(7) (2013) 754-760 Space group: P b c a Cell volume: 2652.8 Cell parameters: 7.2326; 12.3516; 29.695; 90; 90; 90; |
COD ID: 2019055 | |
CIF file | Formula: - C54 H42 Hg2 I4 N12 O6 - Comments: Wu, Xiao-Liu; Zhang, Xiao-Min; Huang, Shu-Yun; Zhou, Wei-Na; Wang, Zhi-Chang A novel two-dimensional metal‒organic supramolecular framework including π‒π stacking and hydrogen-bond interactions Acta Crystallographica Section C 69(7) (2013) 730-733 Space group: P 1 21/c 1 Cell volume: 2749.3 Cell parameters: 18.416; 9.2907; 16.229; 90; 98.059; 90; |
COD ID: 2019056 | |
CIF file | Formula: - C26 H24 Ag N3 O5 - Comments: Guo, Jun-Fang; Guo, Bing-Xin; Wu, Jiang-Yu; Yan, Guo-Ping A three-dimensional supramolecular framework of silver(I), 2-phenylquinoline-4-carboxylate and 4,4'-bipyridine Acta Crystallographica Section C 69(7) (2013) 742-744 Space group: P 1 21/c 1 Cell volume: 2366.2 Cell parameters: 9.4006; 27.461; 9.5349; 90; 105.987; 90; |
COD ID: 2019057 | |
CIF file | Formula: - C18 H42.4 Cl2 Cu N4 O9.2 - Comments: Nath, Babul Chandra; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo Two solvatomorphic forms of a copper complex formulated as Cu(<i>L</i>^1^)(ClO~4~)~2~·1.2H~2~O and Cu(<i>L</i>^1^)(ClO~4~)~2~, where <i>L</i>^1^ is 3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane Acta Crystallographica Section C 69(7) (2013) 689-695 Space group: P -1 Cell volume: 672.67 Cell parameters: 8.5783; 8.7819; 10.2156; 114.835; 98.036; 98.616; |
COD ID: 2019058 | |
CIF file | Formula: - C18 H40 Cl2 Cu N4 O8 - Comments: Nath, Babul Chandra; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo Two solvatomorphic forms of a copper complex formulated as Cu(<i>L</i>^1^)(ClO~4~)~2~·1.2H~2~O and Cu(<i>L</i>^1^)(ClO~4~)~2~, where <i>L</i>^1^ is 3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane Acta Crystallographica Section C 69(7) (2013) 689-695 Space group: P b c a Cell volume: 2632.84 Cell parameters: 9.0206; 16.7979; 17.3754; 90; 90; 90; |
COD ID: 2019059 | |
CIF file | Formula: - C12 H14 Au2 Br2 N2 - Comments: Döring, Cindy; Jones, Peter G. Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I) and bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I): space-group ambiguity? Acta Crystallographica Section C 69(7) (2013) 709-711 Space group: P 1 21/n 1 Cell volume: 1583.97 Cell parameters: 8.2485; 9.7291; 19.8055; 90; 94.737; 90; |
COD ID: 2019060 | |
CIF file | Formula: - C12 H14 Au2 Cl2 N2 - Comments: Döring, Cindy; Jones, Peter G. Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I) and bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I): space-group ambiguity? Acta Crystallographica Section C 69(7) (2013) 709-711 Space group: P 1 21/n 1 Cell volume: 1498.69 Cell parameters: 7.9048; 9.5597; 20.1036; 90; 99.421; 90; |
COD ID: 2019061 | |
CIF file | Formula: - C12 H14 Au2 Cl2 N2 - Comments: Döring, Cindy; Jones, Peter G. Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I) and bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I): space-group ambiguity? Acta Crystallographica Section C 69(7) (2013) 709-711 Space group: P 1 21/n 1 Cell volume: 1550.25 Cell parameters: 8.0221; 9.7523; 19.9889; 90; 97.552; 90; |
COD ID: 2019062 | |
CIF file | Formula: - C12 H14 Au2 Cl2 N2 - Comments: Döring, Cindy; Jones, Peter G. Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I) and bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I): space-group ambiguity? Acta Crystallographica Section C 69(7) (2013) 709-711 Space group: P 1 21/n 1 Cell volume: 1522.56 Cell parameters: 7.9579; 9.667; 19.9987; 90; 98.25; 90; |
COD ID: 2019063 | |
CIF file | Formula: - C4 H14 Ca N2 O7 - Comments: Le Bail, Armel; Daudon, Michel; Bazin, Dominique A new compound in kidney stones? Powder X-ray diffraction study of calcium glycinate trihydrate Acta Crystallographica Section C 69(7) (2013) 734-737 Space group: P -1 Cell volume: 520.76 Cell parameters: 9.6572; 9.6878; 5.7627; 90.588; 76.997; 97.467; |
COD ID: 2019064 | |
CIF file | Formula: - C48 H38 Cl Cu2 Er N4 O11 - Comments: Cao, Gao-Juan; Li, Qing-Lu; Rong, Cheng; Wang, Yu-Lin A tubular one-dimensional polymer constructed from alternating clusters of europium(III)‒water and copper(I) chloride bridged by 4-(pyridin-4-yl)benzoate Acta Crystallographica Section C 69(7) (2013) 712-715 Space group: P -1 Cell volume: 2171.6 Cell parameters: 12.748; 13.227; 14.46; 103.344; 109.689; 97.861; |
COD ID: 2019065 | |
CIF file | Formula: - C12 H22 N4 O9 P2 S - Comments: Li, Shu-Qiang; Hu, Ning-Hai Two hydrate pseudopolymorphs of thiamine pyrophosphate: a dihydrate and a trihydrate Acta Crystallographica Section C 69(7) (2013) 794-797 Space group: P -1 Cell volume: 930.3 Cell parameters: 7.8778; 11.2134; 11.7613; 69.368; 73.893; 89.07; |
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