Crystallography Open Database

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2105210 CIF
Paper
C8 H12 Br N OP b c n20.143; 10.9691; 8.2747
90; 90; 90
1828.3Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.
42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation
Acta Crystallographica Section B, 2012, 68, 453-464
2105618 CIF
Paper
C8 H10 N4 OP b c n16.409; 7.619; 13.544
90; 90; 90
1693.3Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Fernàndez-Castaño, Cristina
Self-assembly of N<i>H</i>-pyrazoles <i>via</i> intermolecular N—H···N hydrogen bonds
Acta Crystallographica Section B, 1999, 55, 985-993
2105775 CIF
Paper
C7 H11 Eu O8P b c n14.1085; 7.7825; 18.0083
90; 90; 90
1977.3Cañadillas-Delgado, Laura; Fabelo, Óscar; Pasán, Jorge; Déniz, Mariadel; Martínez-Benito, Carla; Díaz-Gallifa, Pau; Martín, Tomás; Ruiz-Pérez, Catalina
Three new europium(III) methanetriacetate metal-organic frameworks: the influence of synthesis on the product topology
Acta Crystallographica Section B, 2014, 70, 19-27
2105966 CIFC24 H36 N20 O18 Rh2P b c n18.843; 16.642; 12.307
90; 90; 90
3859.3Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro
Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions
Acta Crystallographica Section B, 2014, 70, 1006-1019
2105968 CIFC26 H32 Cl4 N16 O18 Rh2P b c n20.119; 16.115; 13.055
90; 90; 90
4232.7Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro
Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions
Acta Crystallographica Section B, 2014, 70, 1006-1019
2105975 CIF
HKL
C5 H6 N2 O4P b c n10.4325; 6.7755; 18.6056
90; 90; 90
1315.1Francis, Raju; Raghavaiah, Pallepogu; Pius, Kuruvilla
Unusual crystal structure of <i>N</i>-substituted maleamic acid – very strong effect of intramolecular hydrogen bonds
Acta Crystallographica Section B, 2014, 70, 942-947
2105980 CIF
HKL
Paper
C6 H20 Ca Cl2 N2 O7P b c n23.347; 8.702; 7.391
90; 90; 90
1501.6Lamberts, Kevin; Möller, Andreas; Englert, Ulli
Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers
Acta Crystallographica Section B, 2014, 70, 989-998
2106227 CIFH10 N2 O7 UP b c n5.789; 11.55; 11.666
90; 90; 90
780.023Adrian, H.W.W.; van Tets, A.
A low temperature neutron and X-ray diffraction study of U O2 (N H2 O)2 (H2 O)3
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2997-3000
2106368 CIFNa2 O4 TeP b c n5.798; 12.24; 5.214
90; 90; 90
370.025Kratochvil, B.; Jensovsky, L.
The crystal structure of sodium metatellurate
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2596-2598
2106571 CIFCl6 H2 K3 O RhP b c n12.4; 15.65; 12.05
90; 90; 90
2338.42Murray-Rust, P.; Murray-Rust, J.
The structure of K3 Rh Cl6 (H2 O); a comparison of two independent X-ray structure determinations
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1037-1040
2106924 CIFK2 O16 S5P b c n9.19; 10.891; 14.522
90; 90; 90
1453.48de Vries, R.; Mijlhoff, F.C.
The Crystal Structure of Potassium Pentasulphate K2 S5 O16
Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1696-1699
2106927 CIFF4 Na TiP b c n4.976; 5.755; 11.07
90; 90; 90
317.01Omaly, J.; Avignant, D.; Batail, P.; Grandjean, D.; Cousseins, J.C.
Structure cristalline de alpha-Na Ti F4
Acta Crystallographica B (24,1968-38,1982), 1976, 32, 2106-2110
2107194 CIFAu Cl4 H4 K O2P b c n11.639; 10.012; 7.548
90; 90; 90
879.566Theobald, F.R.; Omrani, H.
Structure du Tetrachloroaurate(III) de Potassium Dihydrate
Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2932-2935
2107992 CIF
Paper
C13 H19 Cl N2 O2P b c n17.8252; 7.2708; 20.6396
90; 90; 90
2674.96Jacobs, Jeroen; Moris, Michele; De Samber, Tim; Vrijdag, Johannes; De Borggraeve, Wim; Van Meervelt, Luc
The orthorhombic pseudopolymorph of tacrine hydrochloride
Acta Crystallographica Section B, 2016, 72, 771-774
2108047 CIFEr10 O21 W2P b c n15.8221; 10.4814; 10.5407
90; 90; 90
1748Bevan, D. J. M.; Drennan, J.; Rossell, H. J.
Structure determination of the fluorite-related superstructure phases Er10W2O21 and Y10W2O21
Acta Crystallographica, Section B, 1982, 38, 2991-2997
2108048 CIFO21 W2 Y10P b c n15.8761; 10.5232; 10.5778
90; 90; 90
1767.2Bevan, D. J. M.; Drennan, J.; Rossell, H. J.
Structure determination of the fluorite-related superstructure phases Er10W2O21 and Y10W2O21
Acta Crystallographica, Section B, 1982, 38, 2991-2997
2108090 CIF
HKL
Paper
C27 H23 F6 I2 N3 O7 S2P b c n22.4519; 18.1915; 8.0879
90; 90; 90
3303.4Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.
Experimental investigation of halogen-bond hard–soft acid–base complementarity
Acta Crystallographica Section B, 2017, 73, 203-209
2108263 CIF
HKL
C13 H14 Br NP b c n23.769; 11.2921; 8.2022
90; 90; 90
2201.5Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108268 CIF
HKL
C13 H14 F NP b c n11.9582; 9.106; 18.7079
90; 90; 90
2037.1Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108592 CIF
HKL
C30 H52 Cu N6 O6P b c n11.386; 14.063; 21.427
90; 90; 90
3430.9Shin, Jong Won; Jeong, Ah Rim; Kim, Younghak; Kim, Dae-Woong; Lee, Sang-Geul; Lee, Hyosun; Moon, Dohyun
Solvent-triggered single-crystal-to-single-crystal transformation from a monomeric to polymeric copper(II) complex based on an aza macrocyclic ligand
Acta Crystallographica Section B, 2020, 76
2200425 CIF
HKL
Paper
C22 H41 B F3 NP b c n13.5626; 17.1534; 20.3567
90; 90; 90
4735.9Quach, Tan D.; Batey, Robert A.; Lough, Alan J.
Tetra-<i>n</i>-butylammonium phenyltrifluoroborate
Acta Crystallographica Section E, 2001, 57, o688-o689
2200513 CIF
HKL
Paper
C12 H8 Cu N4 O4P b c n9.773; 17.404; 7.44
90; 90; 90
1265.5Breneman, Gary L.; Howald, Carl W.; Parker, O. Jerry
Second crystal form of dinitrito(1,10-phenanthroline)copper(II)
Acta Crystallographica Section E, 2001, 57, m286-m287
2200557 CIF
HKL
Paper
C18 H19 N3 O7P b c n22.7045; 11.1044; 14.2366
90; 90; 90
3589.33Shan, Ning; Bond, Andrew D.; Jones, William
NTA–1,10-phenanthroline–water (1/1/1)
Acta Crystallographica Section E, 2001, 57, o811-o813
2200630 CIF
HKL
Paper
C8 H8P b c n15.6898; 10.5854; 7.5745
90; 90; 90
1257.99Bond, Andrew D.; Davies, John E.
Styrene at 120K
Acta Crystallographica Section E, 2001, 57, o1191-o1193
2200727 CIF
HKL
Paper
C8 H8P b c n15.6757; 10.4805; 7.5277
90; 90; 90
1236.72Nobuhiro Yasuda; Hidehiro Uekusa; Yuji Ohashi
Styrene at 83K
Acta Crystallographica Section E, 2001, 57, o1189-o1190
2200755 CIF
HKL
Paper
C26 H26 Mo2 N8 O7P b c n14.2861; 11.8522; 17.2215
90; 90; 90
2915.97Guo, ShengLi; Wagner, Matthias; Bolte, Michael
Bis(μ-1-acetimido-4-phenylpyrazolone-<i>N</i>^2^:<i>O</i>)-μ-oxo-tetraoxodimolybdenum(VI) as its diacetonitrile adduct: a novel dinuclear molybdenum complex bridged by a 1-acetimido-4-phenylpyrazolone ligand
Acta Crystallographica Section E, 2001, 57, m428-m430
2200887 CIF
HKL
Paper
C12 H12 Cu F6 N6 O9 S2P b c n8.9014; 13.7809; 18.891
90; 90; 90
2317.3Kristiansson, Olof
Bis(pyrazine-2-carboxamide)bis(trifluoromethanesulfonato)copper(II) monohydrate
Acta Crystallographica Section E, 2002, 58, m130-m132
2201092 CIF
HKL
Paper
C18 H15 N O3 SP b c n10.6135; 12.6606; 23.328
90; 90; 90
3134.7Lough, Alan J.; Fagnou, Keith; Lautens, Mark
Benzenesulfonyl(1-hydroxy-1,2-dihydronaphthalen-2-yl)acetonitrile
Acta Crystallographica Section E, 2002, 58, o664-o665
2201243 CIFMn O5 Te2P b c n7.3114; 10.9216; 6.1711
90; 90; 90
492.78Johnston, Magnus G.; Harrison, William T. A.
Managanese tellurite, β-MnTe~2~O~5~
Acta Crystallographica, Section E, 2002, 58, i59-i61
2201417 CIF
HKL
Paper
C6 H9 N3 O SP b c n7.9246; 12.543; 16.015
90; 90; 90
1591.9Carballo, Rosa; Casas, J. Sergio; García-Martínez, Emilia; Pereiras-Gabián, Gumersindo; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.
2,5-Dihydro-3,4-dimethyl-5-oxo-1<i>H</i>-pyrazole-1-carbothioamide
Acta Crystallographica Section E, 2002, 58, o787-o789
2201463 CIF
HKL
Paper
C64 H48 Ag2 Mo N10 P4 S6P b c n17.181; 15.313; 26.386
90; 90; 90
6942Xu, Hong-Wu; Chen, Zhong-Ning; Wu, Ji-Gui
Bis[μ-bis(diphenylphosphino)amine-κ<i>P</i>:<i>P</i>']bis[acetonitrilesilver(I)] tris(<i>cis</i>-1,2-dicyanoethylene-1,2-dithiolate)molybdate(IV)
Acta Crystallographica Section E, 2002, 58, m631-m633
2201590 CIF
HKL
Paper
C52 H44 Br6 Cd2 O2 P2P b c n25.7075; 10.7351; 18.8469
90; 90; 90
5201.2Baby Mariyatra, Mahimaidoss; Panchanatheswaran, Krishnaswamy; Goeta, Andres E.
Triphenyl(benzoylmethyl)phosphonium hexabromodicadmate(II): supramolecular aggregation through extensive C—H···Br and C—H···O interactions
Acta Crystallographica Section E, 2002, 58, m694-m696
2202576 CIF
HKL
Paper
C28 H60 Cl2 Ge2 Si2P b c n25.236; 9.6427; 14.0761
90; 90; 90
3425.3Lerner, Hans-Wolfram; Dürner, Gerd; Bolte, Michael
<i>trans</i>-μ-But-2-ene-1,4-diyldichlorobis(tri-<i>tert</i>-butylsilyl)digermanium(Ge‒Ge)
Acta Crystallographica Section E, 2003, 59, m816-m817
2202617 CIF
HKL
Paper
C24 H18 Cl4 Mn N4 O2P b c n13.181; 9.738; 19.707
90; 90; 90
2529.5Yang, Qi Yun; Qi, Jian Ying; Chan, Gang; Zhou, Zhong Yuan; Chan, Albert S. C.
<i>cis</i>-Dichlorobis[<i>N</i>-(3-chlorophenyl)pyridine-2-carboxamide]manganese(II)
Acta Crystallographica Section E, 2003, 59, m982-m984
2202682 CIF
Paper
C32 H36 Cu N4 O11P b c n7.4063; 18.157; 23.801
90; 90; 90
3200.7Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng
Tetraaquabis(4,4'-bipyridine)copper(II) 2,6-naphthalenedicarboxylate trihydrate
Acta Crystallographica Section E, 2003, 59, m614-m615
2203070 CIF
Paper
C46 H51 B F24 N2 Si2P b c n17.1047; 16.8652; 18.9828
90; 90; 90
5476Kathryn Hassall; Jonathan White
Dimethyl(2-trimethylsilylethyl)[(2-trimethylsilylethyl)dimethylammonio]ammonium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate at 130K
Acta Crystallographica Section E, 2004, 60, o107-o108
2203157 CIF
HKL
Paper
C20 H16 Mn N10P b c n14.5978; 8.1794; 16.9523
90; 90; 90
2024.1Ya-Qian Cheng; Mao-Lin Hu; Sai-Rong Fan; Wei Zhang
Diazidobis(2,2'-bipyridine)manganese(II)
Acta Crystallographica Section E, 2004, 60, m212-m213
2203182 CIF
HKL
Paper
C14 H12 N2 O3P b c n10.6039; 12.9904; 18.1168
90; 90; 90
2495.6Ersanlı, Cem Cüneyt; Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Erdönmez, Ahmet
6-Methoxy-5-(phenyldiazenyl)salicylaldehyde
Acta Crystallographica Section E, 2004, 60, o230-o231
2203215 CIF
HKL
Paper
C16 H18 N2 O2P b c n27.2961; 14.4293; 7.568
90; 90; 90
2980.8Karadayı, Nevzat; Turgut, Günseli; Odabas̨oğlu, Mustafa; Büyükgüngör, Orhan
4-(4-Methylphenylazo)-2-allylphenol monohydrate
Acta Crystallographica Section E, 2004, 60, o176-o178
2203341 CIF
HKL
Paper
C24 H40 Cl2 N8 O8 S8 ZnP b c n28.6778; 11.3532; 12.6453
90; 90; 90
4117.1Fujihara, Takashi; Sugaya, Tomoaki; Nagasawa, Akira; Nakayama, Juzo
Tetrakis(1,3-dimethylimidazolidinium-2-dithiocarboxylate-κ<i>S</i>)zinc(II) diperchlorate
Acta Crystallographica Section E, 2004, 60, m282-m284
2203357 CIF
HKL
Paper
F5 H2 Na O UP b c n6.9928; 8.7617; 15.0426
90; 90; 90
921.64Andreas Fischer; Zoltán Szabó
Sodium pentafluorouranate(IV) monohydrate, Na[UF~5~]·H~2~O
Acta Crystallographica Section E, 2004, 60, i45-i46
2203467 CIF
Paper
C24 H16 N2 O6P b c n22.1158; 12.8114; 21.802
90; 90; 90
6177.3Ocak, Nazan; Büyükgüngör, Orhan; Akdemir, Nesuhi; Ag̃ar, Erbil; Özil, Musa; Erdönmez, Ahmet
Dimethyl 2,2'-(4,5-dicyano-<i>o</i>-phenylenedioxy)dibenzoate
Acta Crystallographica Section E, 2004, 60, o505-o507
2203478 CIF
HKL
Paper
C24 H24 Br2 Mn N4P b c n15.2773; 10.2049; 15.4099
90; 90; 90
2402.5Jun Sakamoto; Naokazu Yoshikawa; Hiroshi Takashima; Keiichi Tsukahara; Nobuko Kanehisa; Yasushi Kai; Keiko Matsumura
<i>cis</i>-Dibromobis(4,4'-dimethyl-2,2'-bipyridine)manganese(II)
Acta Crystallographica Section E, 2004, 60, m352-m353
2203526 CIF
HKL
Paper
C13 H20 N8 O3P b c n15.81; 7.299; 28.55
90; 90; 90
3294.6Lu, Liping; Qin, Shidong; Zhu, Miaoli; Yang, Pin
4-Dimethylamino-6-(1-methyl-4-nitro-1<i>H</i>-pyrrol-2-yl)-1,3,5-triazine-2-amine dimethylformamide solvate
Acta Crystallographica Section E, 2004, 60, o583-o585
2203565 CIF
HKL
Paper
C30 H30 Mn N3 O3P b c n19.227; 14.948; 36.427
90; 90; 90
10469You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng
Tris[2-(cyclopropyliminomethyl)phenolato]manganese(III)
Acta Crystallographica Section E, 2004, 60, m603-m605
2203620 CIF
HKL
Paper
C18 Cl12 O2P b c n9.0245; 18.407; 13.516
90; 90; 90
2245.2Ying Peng; Su-Yuan Xie; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng
1,2,3,4,4b,4c,6,7,8,9,9b,9c-Dodecachloro-4b,4c,9b,9c-tetrahydrocyclobuta[1,2-<i>a</i>;3,4-<i>a</i>']diindene-5,10-dione
Acta Crystallographica Section E, 2004, 60, o762-o763
2203804 CIF
HKL
Paper
C26 H23 Au N2 O0.5 PP b c n26.2518; 9.3899; 18.496
90; 90; 90
4559.3Li, Dan; Wu, Tao; Ng, Seik Weng
(2-Methylbenzimidazolyl-κ<i>N</i>)(triphenylphosphine-κ<i>P</i>)gold(I) hemihydrate
Acta Crystallographica Section E, 2004, 60, m728-m729
2204033 CIF
Paper
C24 H16 Cd N10P b c n14.071; 8.985; 17.23
90; 90; 90
2178Xiang He; Can-Zhong Lu; Xiao-Yuan Wu; Quan-Zheng Zhang; Shui-Mei Chen; Jiu-Hui Liu
Diazidobis(1,10-phenanthroline-κ^2^<i>N,N</i>')cadmium(II)
Acta Crystallographica Section E, 2004, 60, m1124-m1125
2204066 CIF
Paper
C16 H16 O3 SP b c n29.7459; 11.2443; 8.8337
90; 90; 90
2954.6Weiming Xu; Xiu-Rong Hu; Jian-Ming Gu
(Z)-1-Methoxy-1-phenyl-2-(4-toluenesulfonyl)ethene
Acta Crystallographica, Section E, 2004, 60, o1325-o1326
2204117 CIF
HKL
Paper
C4 H12 O4 P2 Pb S4P b c n17.738; 9.218; 9.216
90; 90; 90
1506.9Tetsuzo Ito; Yoshinori Maeda
Linear-chain bis(μ-<i>O,O</i>'-dimethyl dithiophosphato)lead(II)
Acta Crystallographica Section E, 2004, 60, m1349-m1350

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