Crystallography Open Database

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1509698 CIFAg2 Ba Ge Se4I 2 2 27.058; 7.263; 8.253
90; 90; 90
423.067Johrendt, D.; Tampier, M.
Neue azentrische Selenogermanate. I. Kristallstrukturen und chemische Bindung von A M2 Ge Se4 (A=Sr, Ba; M=Cu, Ag)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 312-320
1509717 CIFAg2 Ba S4 SnI 2 2 27.127; 8.117; 6.854
90; 90; 90
396.503Teske, C.L.; Vetter, O.
Ergebnisse einer Roentgenstrukturanalyse von SilberBarium-Thiostannat(IV), Ag2 Ba Sn S4
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1976, 427, 200-204
1518706 CIFAl10 Cl2 H16 K12 O48 Si10I 2 2 29.88; 9.877; 13.064
90; 90; 90
1274.8Norlund Christensen, A.; Fjellvag, H.
Neutron powder diffraction study of the dehydration of zeolite N
Acta Chemica Scandinavica, 1999, 53, 85-89
1518707 CIFAl10 Cl2 H16 K12 O48 Si10I 2 2 29.779; 9.743; 13.142
90; 90; 90
1252.1Norlund Christensen, A.; Fjellvag, H.
Neutron powder diffraction study of the dehydration of zeolite N
Acta Chemica Scandinavica, 1999, 53, 85-89
1527025 CIFAl4 H36 Mg1.6 Na2.6 O90 Si32I 2 2 219.186; 14.143; 7.484
90; 90; 90
2030.77Yokomori, Y.; Nishi, K.; Wachsmuth, J.
Structure and Bronsted acid sites of ferrierite
Microporous and Mesoporous Materials, 2001, 50, 137-143
1529235 CIF
HKL
Nd2 O6 SI 2 2 24.11991; 4.22332; 13.349
90; 90; 90
232.27Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor
Synthesis and thermal transformation of a neodymium(III) complex [Nd(HTBA)2(C2H3O2)(H2O)2].2H2O to noncentrosymmetric oxosulfate Nd2O2SO4
Journal of Coordination Chemistry, 2015, 68, 1865
1535404 CIFFe Na S2I 2 2 26.25; 10.83; 5.4
90; 90; 90
365.513Boller, H.; Blaha, H.
Zur Kenntnis des Natriumthioferrates(III)
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 1983, 114, 145-154
1543353 CIFC120 H204 N84 O47.5 Pd12I 2 2 219.9984; 22.3102; 22.5607
90; 90; 90
10065.9Howlader, Prodip; Mukherjee, Partha Sarathi
Face and edge directed self-assembly of Pd12tetrahedral nano-cages and their self-sorting
Chem. Sci., 2016, 7, 5893
1550533 CIFC36 H72 Mn4 O16I 2 2 212.1248; 14.1447; 14.1468
90; 90; 90
2426.2Nagae, Haruki; Hirai, Takahiro; Kato, Daiki; Soma, Shusei; Akebi, Shin-ya; Mashima, Kazushi
Dinuclear Manganese Alkoxide Complexes as Catalysts for C—N Bond Cleavage of Simple Tertiary N,N-Dialkylamides to Give Esters
Chemical Science, 2019
1553106 CIFC33 H30 Br N O5I 2 2 215.713; 28.08; 28.507
90; 90; 90
12578Zhang, Jun-Wei; Liu, Xiao-Wei; Gu, Qing; Shi, Xiao-Xin; You, Shu-Li
Enantioselective synthesis of 4,5,6,7-tetrahydroindoles via olefin cross-metathesis/intramolecular Friedel‒Crafts alkylation reaction of pyrroles
Organic Chemistry Frontiers, 2015, 2, 476
1562833 CIFC19 H9.5 B Li N0.5 O6I 2 2 215.2478; 19.3901; 19.4093
90; 90; 90
5738.5Hu, Yiming; Teat, Simon J.; Gong, Wei; Zhou, Zhou; Jin, Yinghua; Chen, Hongxuan; Wu, Jingyi; Cui, Yong; Jiang, Tao; Cheng, Xinbin; Zhang, Wei
Single crystals of mechanically entwined helical covalent polymers
Nature Chemistry, 2021, 1
1562834 CIFC19 H10 B Li N0.5 O6.25I 2 2 215.2523; 19.3821; 19.4331
90; 90; 90
5744.8Hu, Yiming; Teat, Simon J.; Gong, Wei; Zhou, Zhou; Jin, Yinghua; Chen, Hongxuan; Wu, Jingyi; Cui, Yong; Jiang, Tao; Cheng, Xinbin; Zhang, Wei
Single crystals of mechanically entwined helical covalent polymers
Nature Chemistry, 2021, 1
2007213 CIF
HKL
Paper
C20 H35 O7.5I 2 2 28.914; 18.1678; 25.326
90; 90; 90
4101.5Drouin, Marc; Dodier, Marco; Ruest, Luc
3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives
Acta Crystallographica Section C, 1998, 54, 687-693
2015017 CIF
HKL
Paper
C20 H39 Cl2 N2 O0.5 PdI 2 2 26.6873; 13.427; 28.159
90; 90; 90
2528.4Vázquez, Jaime; Bernès, Sylvain; Meléndez, Ruth; Portillo, Roberto; Gutiérrez, René
Conformational change induced by hydration: <i>trans</i>-dichlorobis[(1<i>R</i>,2<i>R</i>,3<i>R</i>,5<i>S</i>)-(‒)-isopinocampheylamine]palladium(II) and <i>trans</i>-dichlorobis[(1<i>S</i>,2<i>S</i>,3<i>S</i>,5<i>R</i>)-(+)-isopinocampheylamine]palladium(II) hemihydrate
Acta Crystallographica Section C, 2005, 61, m424-m427
2021888 CIFF4 H12 N3 O2 VI 2 2 26.2738; 9.1388; 18.8424
90; 90; 90
1080.33Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M.
Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1085
2101613 CIF
Paper
C41 H46 Cl2 I N4 Na O4I 2 2 210.453; 13.417; 28.526
90; 90; 90
4000.7Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Alihodžić, Sulejman; Trinajstić, Nenad
Bond length‒bond order relations and calculated geometries for some benzenoid aromatics, including phenanthridine. Structures of 5,6-dimethylphenanthridinium triflate, [<i>N</i>-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''',<i>O</i>''''](picrate-κ^2^-<i>O</i>,<i>O</i>')potassium, and [<i>N</i>,<i>N</i>'-bis(6-phenanthridinyl-κ<i>N</i>-methyl)-7,16-diaza-18-crown-6-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']sodium iodide dichloromethane solvate
Acta Crystallographica Section B, 1996, 52, 823-837
2219877 CIF
HKL
Paper
C6 H11 K N4 O5I 2 2 27.3883; 10.087; 29.031
90; 90; 90
2163.6Karapetyan, Harutyun A.
Potassium <small>L</small>-2-nitrimino-1,3-diazepane-4-carboxylate monohydrate
Acta Crystallographica Section E, 2008, 64, m1369
4000014 CIFC24 H16 N4 Rb S12 Se8 ZnI 2 2 210.137; 44.006; 4.709
90; 90; 90
2100Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko
Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts
Chemistry of Materials, 2000, 12, 2984-2987
4000015 CIFC24 H16 Co Cs N4 S12 Se8I 2 2 29.812; 44.104; 4.907
90; 90; 90
2123Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko
Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts
Chemistry of Materials, 2000, 12, 2984-2987
4000016 CIFC24 H16 Cs N4 S12 Se8 ZnI 2 2 29.818; 44.13; 4.906
90; 90; 90
2125Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko
Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts
Chemistry of Materials, 2000, 12, 2984-2987
4000018 CIFC24 H16 Co N4 Rb S12 Se8I 2 2 210.128; 43.97; 4.71
90; 90; 90
2098Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko
Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts
Chemistry of Materials, 2000, 12, 2984-2987
4000566 CIFAg2 Ba Se4 SnI 2 2 27.1154; 7.4994; 8.3375
90; 90; 90
444.9Chemistry of Materials, 2005
4020553 CIFC9 H12 N2 O4I 2 2 26.8961; 14.1021; 20.3417
90; 90; 90
1978.2Stefan Spange; Katja Hofmann; Bernhard Walfort; Tobias Rüffer; Heinrich Lang
Chiral 1,2- and 1,3-Diol-Functionalized Chromophores as Lego Building Blocks for Coupled Structures
Journal of Organic Chemistry, 2005, 70, 8564-8567
4030289 CIFC27 H44.5 O3I 2 2 27.2241; 30.833; 32.125
90; 90; 90
7156Sokolowska, Katarzyna; Carballa, Diego; Seoane, Samuel; Pérez-Fernández, Román; Mouriño, Antonio; Sicinski, Rafal R.
Synthesis and Biological Activity of Two C-7 Methyl Analogues of Vitamin D.
The Journal of organic chemistry, 2014, 80, 165
4064245 CIFC52 H92 O4 Y4I 2 2 212.371; 15.336; 16.871
90; 90; 90
3200.8Shima, Takanori; Nishiura, Masayoshi; Hou, Zhaomin
Tetra-, Penta-, and Hexanuclear Yttrium Hydride Clusters from Half-Sandwich Bis(aminobenzyl) Complexes Containing Various Cyclopentadienyl Ligands
Organometallics, 2011, 30, 2513
4081833 CIFC40 H60 O Ti2I 2 2 211.1196; 11.262; 13.9387
90; 90; 90
1745.53Pinkas, Jiří; Císařová, Ivana; Gyepes, Róbert; Kubišta, Jiří; Horáček, Michal; Mach, Karel
Synthesis and Structure of Titanium(III) Bis(decamethyltitanocene) Oxide
Organometallics, 2013, 32, 6306
4100542 CIFC6 H20 Br3 N4 NiI 2 2 219.35; 5.11; 6.988
90; 90; 90
691.1Mari Sasaki; Shinya Takaishi; Hitoshi Miyasaka; Ken-ichi Sugiura; Masahiro Yamashita
Novel Quasi-One-Dimensional Halogen-Bridged PtII-PtIV Mixed-Valence Compounds with Magnetic Counter-anions, {[Pt(en)2][PtX2(en)2]}3{(MX5)X3}2 12H2O (M=Co2+, Mn2+, and Fe2+; X=Cl- and Br-)
Journal of the American Chemical Society, 2005
4101476 CIFC12 H28 I3 N4 PtI 2 2 223.443; 5.6718; 7.288
90; 90; 90
969Takaishi, Shinya; Kawakami, Daisuke; Yamashita, Masahiro; Sasaki, Mari; Kajiwara, Takashi; Miyasaka, Hitoshi; Sugiura, Ken-Ichi; Wakabayashi, Yusuke; Sawa, Hiroshi; Matsuzaki, Hiroyuki; Kishida, Hideo; Okamoto, Hiroshi; Watanabe, Harutaka; Tanaka, Hisaaki; Marumoto, Kazuhiro; Ito, Hiroshi; Kuroda, Shin-Ichi
Dynamical valence fluctuation at the charge-density-wave phase boundary in iodide-bridged Pt compound [Pt(chxn)2I]I2.
Journal of the American Chemical Society, 2006, 128, 6420-6425
4108884 CIFC20 H20 N2 O9I 2 2 210.9542; 13.6868; 32.04
90; 90; 90
4803.7Xiaobo Wan; Madeleine M. Joullié
Enantioselective Total Syntheses of Trichodermamides A and B
Journal of the American Chemical Society, 2008, 130, 17236-17237
4111910 CIFC64 H56 F42 I N32 Ni4 Sb7I 2 2 218.145; 14.925; 22.529
90; 90; 90
6101Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar
Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes
Journal of the American Chemical Society, 2005, 127, 12909-12923
4111911 CIFC64 H56 B F46 N32 Ni4 P Sb6I 2 2 217.869; 14.762; 22.326
90; 90; 90
5889Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar
Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes
Journal of the American Chemical Society, 2005, 127, 12909-12923
4115855 CIFC6 H18 F4 Ge14 N3 O32I 2 2 216.9109; 24.267; 30.21
90; 90; 90
12397.5Jacques Plévert; Travis M. Gentz; Aaron Laine; Hailian Li; Victor G. Young; Omar M. Yaghi; Michael O'Keeffe
A Flexible Germanate Structure Containing 24-Ring Channels and with Very Low Framework Density
Journal of the American Chemical Society, 2001, 123, 12706-12707
4116908 CIFC48 H108 I8 Mo4 P4I 2 2 212.19; 15.673; 19.605
90; 90; 90
3745.6F. Albert Cotton; Lee M. Daniels; Isabelle Guimet; Robert W. Henning; Glenn T. Jordan; Chun Lin; Carlos A. Murillo; Arthur J. Schultz
Compounds with Two Metal-Metal Multiple Bonds: New Ways of Making Doublets into Cyclic Quartets
Journal of the American Chemical Society, 1998, 120, 12531-12538
4123929 CIFCs14 D12.32 Li41.12 O178.16 Si72I 2 2 211.208; 17.286; 23.536
90; 90; 90
4559.9Park, S.-H.; Grey, C.P.; Parise, J.B.; Gies, H.; Liu, H.-M.; Toby, B.H.
A new porous lithosilicate with a high ionic conductivity and ion-exchange capacity
Journal of the American Chemical Society, 2000, 122, 11023-11024
4124200 CIFC10 H8 F3 Fe N2I 2 2 23.89; 10.7997; 11.3951
90; 90; 90
478.72Lu, Hongcheng; Yamamoto, Takafumi; Yoshimune, Wataru; Hayashi, Naoaki; Kobayashi, Yoji; Ajiro, Yoshitami; Kageyama, Hiroshi
A Nearly Ideal One-Dimensional S = 5/2 Antiferromagnet FeF3(4,4'-bpy) (4,4'-bpy =4,4'-bipyridyl) with Strong Intrachain Interactions.
Journal of the American Chemical Society, 2015, 137, 9804-9807
4132954 CIFC24 H16 Cl4 Cu5 N4 O9I 2 2 211.684; 12.866; 14.0116
90; 90; 90
2106.3Jiang, Jingjing; Lu, Zhiyong; Zhang, Mingxing; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng
Higher Symmetry Multinuclear Clusters of Metal-Organic Frameworks for Highly Selective CO<sub>2</sub> Capture.
Journal of the American Chemical Society, 2018, 140, 17825-17829
4303065 CIFC16 H44 N2 O22 V2I 2 2 28.0275; 8.3123; 22.674
90; 90; 90
1513Jana Gáliková; Peter Schwendt; Jozef Tatiersky; Alan S. Tracey; Zdirad Žák
Stereospecific Formation of Dinuclear Vanadium(V) Tartrato Complexes
Inorganic Chemistry, 2009, 48, 8423-8430
4307562 CIFC10 H8 F3 N2 VI 2 2 23.797; 10.769; 11.312
90; 90; 90
462.5David W. Aldous; Nicholas F. Stephens; Philip Lightfoot
Hydrothermal Vanadium Fluoride Chemistry: Four New V3+ Chain Structures
Inorganic Chemistry, 2007, 46, 3996-4001
4310557 CIFC52 H40 Cl18 Mn4 N8 O10I 2 2 29.348; 12.654; 28.525
90; 90; 90
3374.2Nizamuddin Shaikh; Anangamohan Panja; Sanchita Goswami; Pradyot Banerjee; Pavel Vojtíšek; Yuan-Zhu Zhang; Gang Su; Song Gao
Slow Magnetic Relaxation in a Mixed-Valence Mn(II/III) Complex: [MnII2(bispicen)2(μ3-Cl)2MnIII(Cl4Cat)2MnIII(Cl4Cat)2(H2O)2]∞
Inorganic Chemistry, 2004, 43, 849-851
4320687 CIFC12 H28 Br3 Cu0.5 N4 Pt0.5I 2 2 26.978; 23.7; 5.344
90; 90; 90
883.8Takuya Kawashima; Kenzi Takai; Hidemitsu Aso; Toshio Manabe; Kouichi Takizawa; Chihiro Kachi-Terajima; Tomohiko Ishii; Hitoshi Miyasaka; Hiroyuki Matsuzaka; Masahiro Yamashita; Hiroshi Okamoto; Hiroshi Kitagawa; Motoo Shiro; Koshiro Toriumi
Syntheses and Physical Properties of Quasi-One-Dimensional Halogen-Bridged CuII-PtIV Mixed-Metal Complexes [Cu(chxn)2][PtX2(chxn)2]X4
Inorganic Chemistry, 2001, 40, 6651-6655
4320688 CIFC24 H56 Cl6 Cu N8 PtI 2 2 224.237; 5.103; 6.854
90; 90; 90
847.7Takuya Kawashima; Kenzi Takai; Hidemitsu Aso; Toshio Manabe; Kouichi Takizawa; Chihiro Kachi-Terajima; Tomohiko Ishii; Hitoshi Miyasaka; Hiroyuki Matsuzaka; Masahiro Yamashita; Hiroshi Okamoto; Hiroshi Kitagawa; Motoo Shiro; Koshiro Toriumi
Syntheses and Physical Properties of Quasi-One-Dimensional Halogen-Bridged CuII-PtIV Mixed-Metal Complexes [Cu(chxn)2][PtX2(chxn)2]X4
Inorganic Chemistry, 2001, 40, 6651-6655
4321934 CIFC12 H28 Cl N6 Ni O6I 2 2 28.001; 22.99; 4.982
90; 90; 90
916.4Masahiro Yamashita; Toshio Manabe; Kazuo Inoue; Takuya Kawashima; Hiroshi Okamoto; Hiroshi Kitagawa; Tadaoki Mitani; Koshiro Toriumi; Hiroshi Miyamae; Ryuichi Ikeda
Tuning of Spin Density Wave Strengths in Quasi-One-Dimensional Halogen-Bridged NiIII Complexes with Strong Electron Correlations, [NiIII(chxn)2X]Y2
Inorganic Chemistry, 1999, 38, 1894-1899
4324180 CIFC20 H28 Cl2 N12 O2 Pd S2I 2 2 23.7721; 11.346; 28.99
90; 90; 90
1240.7Adam Duong; Thierry Maris; James D. Wuest
Using Pyridinyl-Substituted Diaminotriazines to Bind Pd(II) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals
Inorganic Chemistry, 2011, 50, 5605-5618
4325009 CIFC24 H67 Cl6.75 Fe7.25 N6 O17I 2 2 220.8859; 21.5851; 22.638
90; 90; 90
10205.8Shreya Mukherjee; Rashmi Bagai; Khalil A. Abboud; George Christou
Raising the Spin of FeIII7 Disklike Clusters: The Power of Molecular Spin Frustration
Inorganic Chemistry, 2011, 50, 3849-3851
4325281 CIFC26.8 H57 N4 Ni5 O20.7I 2 2 213.172; 17.242; 22.112
90; 90; 90
5022Tereza Peristeraki; Marianna Samios; Milosz Siczek; Tadeusz Lis; Constantinos J. Milios
Artificial Amino Acids in Nickel(II) and Nickel(II)/Lanthanide(III) Chemistry
Inorganic Chemistry, 2011, 50, 5175-5185
4329133 CIFC40 H32 Cr2 F4 N16 Nd2 O24I 2 2 212.2727; 15.3327; 15.7225
90; 90; 90
2958.6Torben Birk; Kasper S. Pedersen; Christian Aa. Thuesen; Thomas Weyhermüller; Magnus Schau-Magnussen; Stergios Piligkos; Högni Weihe; Susanne Mossin; Marco Evangelisti; Jesper Bendix
Fluoride Bridges as Structure-Directing Motifs in 3d-4f Cluster Chemistry
Inorganic Chemistry, 2012, 51, 5435-5443
4339780 CIFC144 H134 Mn16 N72 O63I 2 2 213.27; 21.36; 33.87
90; 90; 90
9600Dey, Subrata K.; Abedin, Tareque S. M.; Dawe, Louise N.; Tandon, Santokh S.; Collins, Julie L.; Thompson, Laurence K.; Postnikov, Andrei V.; Alam, Mohammad S.; Müller, Paul
Supramolecular self-assembled polynuclear complexes from tritopic, tetratopic, and pentatopic ligands: structural, magnetic and surface studies.
Inorganic chemistry, 2007, 46, 7767-7781
4341246 CIFC12 H28 Cd Cl4 N2I 2 2 228.5482; 6.103; 5.512
90; 90; 90
960.4Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Li, Peng-Fei; Chen, Li-Zhuang; Zhang, Yi
Temperature-Triggered Reversible Dielectric and Nonlinear Optical Switch Based on the One-Dimensional Organic-Inorganic Hybrid Phase Transition Compound [C6H11NH3]2CdCl4.
Inorganic chemistry, 2014, 53, 11146-11151
4342747 CIFC40 H56 Mn4 O17I 2 2 213.501; 13.724; 13.911
90; 90; 90
2578Hailili, Reshalaiti; Wang, Li; Qv, Junzhang; Yao, Ruxin; Zhang, Xian-Ming; Liu, Huwei
Planar Mn4O Cluster Homochiral Metal-Organic Framework for HPLC Separation of Pharmaceutically Important (±)-Ibuprofen Racemate.
Inorganic chemistry, 2015, 54, 3713-3715
4500285 CIFC14 H21 N2 Na O11 UI 2 2 212.002; 12.6829; 27.185
90; 90; 90
4138.1Thuéry, Pierre
Uranyl−Organic Assemblies with Acetate-Bearing Phenyl- and Cyclohexyl-Based Ligands
Crystal Growth & Design, 2011, 11, 347

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