Crystallography Open Database

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1525586 CIFAl10.144 Ca19 Fe1.821 H9 Mg O78 Si18P 4 n c15.569; 15.569; 11.841
90; 90; 90
2870.19Armbruster, T.; Gnos, E.
"Rod" polytypism in vesuvianite: crystal structure of a low-temperature P4nc vesuvianite with pronounced octahderal cation ordering
Schweizerische Mineralogische und Petrographische Mitteilungen, 2000, 80, 109-116
1534196 CIFHg I6 Tl4P 4 n c9.416; 9.416; 9.237
90; 90; 90
818.962Badikov, D.V.; Badikov, V.V.; Kuz'micheva, G.M.; Panyutin, V.L.; Shevyrdyaeva, G.S.; Rybakov, V.B.; Chizhikov, V.I.; Shcherbakova, E.S.
Growth and X-ray diffraction study of Tl4 Hg I6 crystals
Neorganicheskie Materialy, 2004, 40, 372-379
1546055 CIFC36 H36 Cl2 N4 RuP 4 n c13.906; 13.906; 8.6877
90; 90; 90
1680Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos
FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity
Faraday Discuss., 2017
1556606 CIFC40 H48 N32 Ni4 O S8P 4 n c18.4946; 18.4946; 18.193
90; 90; 90
6222.9Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.
[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands
Inorganics, 2018, 6, 51
2015304 CIF
HKL
Paper
C56 H48 Cd Cl2 N16P 4 n c17.0805; 17.0805; 9.2818
90; 90; 90
2707.9Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li; Li, Li; Wang, Shu-Xia
<i>trans</i>-Dichlorotetrabenzimidazolecadmium(II) tetrabenzimidazole: a three-dimensional supramolecular structure built from C—H···π, N—H···Cl and N—H···N hydrogen bonds
Acta Crystallographica Section C, 2006, 62, m180-m182
2022948 CIF
HKL
Paper
C25 H16 Cl Fe N9 SP 4 n c10.79412; 10.79412; 11.15065
90; 90; 90
1299.2Müller-Meinhard, Asmus; Jess, Inke; Näther, Christian
Synthesis, crystal structure and properties of chloridotetrakis(pyridine-3-carbonitrile)thiocyanatoiron(II)
Acta Crystallographica Section E Crystallographic Communications, 2023, 79, 1173-1178
2202400 CIF
HKL
Paper
C16 H24 Cl2 Cu N8P 4 n c9.8106; 9.8106; 10.8547
90; 90; 90
1044.7Ana María Atria; .; Piedad Cortés; .; María Teresa Garland; .; Ricardo Baggio; .
[Cu(2-Me-imidH)~4~Cl]Cl: a conflict between high symmetry and packing efficiency
Acta Crystallographica Section E, 2003, 59, m1075-m1077
4003456 CIFGe4 K4 Li2 O13 TiP 4 n c11.5984; 11.5984; 5.18
90; 90; 90
696.83Xu, Jingjing; Wu, Hongping; Yu, Hongwei; Zhang, Weiguo; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Halasyamani, P. Shiv
Li2K4TiOGe4O12: A Stable Mid-Infrared Nonlinear Optical Material
Chemistry of Materials, 2020
4061450 CIFC50 H39 N8 O Ru2P 4 n c10.3951; 10.3951; 20.1372
90; 90; 90
2176Ren, Tong
Iterative Synthesis of Oligoynes Capped by A Ru2-terminus
Organometallics, 2005
4067795 CIFC41 H41 Co O8P 4 n c15.6941; 15.6941; 7.2842
90; 90; 90
1794.13Bertrand, Guillaume; Tortech, Ludovic; Fichou, Denis; Malacria, Max; Aubert, Corinne; Gandon, Vincent
An Improved Protocol for the Synthesis of [(η4-C4R4)Co(η5-C5H5)] Complexes
Organometallics, 2012, 31, 126
4086148 CIFC28 H48 Mo N12P 4 n c12.113; 12.113; 11.029
90; 90; 90
1618.2Ohki, Yasuhiro; Aoyagi, Keiya; Seino, Hidetake
Synthesis and Protonation of N-Heterocyclic-Carbene-Supported Dinitrogen Complexes of Molybdenum(0)
Organometallics, 2015, 34, 3414
4104137 CIFC60 H80 Cu4 N8 O26P 4 n c17.3377; 17.3377; 14.7455
90; 90; 90
4432.4Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh
Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration
Journal of the American Chemical Society, 2009, 131, 4586-4587
4104138 CIFC60 H80 Cu4 N8 O32P 4 n c17.4666; 17.4666; 14.7514
90; 90; 90
4500.4Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh
Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration
Journal of the American Chemical Society, 2009, 131, 4586-4587
4104139 CIFC60 H80 Cu4 N8 O36P 4 n c17.363; 17.363; 14.709
90; 90; 90
4434.4Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh
Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration
Journal of the American Chemical Society, 2009, 131, 4586-4587
4104140 CIFC60 H80 Cu4 N8 O24P 4 n c17.5453; 17.5453; 14.7194
90; 90; 90
4531.2Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh
Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration
Journal of the American Chemical Society, 2009, 131, 4586-4587
4104141 CIFC60 H80 Cu4 N8 O26P 4 n c17.267; 17.267; 14.68
90; 90; 90
4376.8Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh
Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration
Journal of the American Chemical Society, 2009, 131, 4586-4587
4104142 CIFC15 H20 Cu N2 O9P 4 n c17.3525; 17.3525; 14.7188
90; 90; 90
4432Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh
Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration
Journal of the American Chemical Society, 2009, 131, 4586-4587
4104143 CIFC56 H80 Cu4 N8 O30P 4 n c17.1318; 17.1318; 15.0575
90; 90; 90
4419.4Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh
Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration
Journal of the American Chemical Society, 2009, 131, 4586-4587
4106833 CIFC24 H28 Bi2 Cl4 I6 N4P 4 n c12.5278; 12.5278; 12.6511
90; 90; 90
1985.5Nicolas Leblanc; Nicolas Mercier; Leokadiya Zorina; Sergey Simonov; Pascale Auban-Senzier; Claude Pasquier
Large Spontaneous Polarization and Clear Hysteresis Loop of a Room-Temperature Hybrid Ferroelectric Based on Mixed-Halide [BiI3Cl2] Polar Chains and Methylviologen Dication
Journal of the American Chemical Society, 2011, 133, 14924-14927
4108806 CIFC14 H16 OP 4 n c16.4925; 16.4925; 8.4974
90; 90; 90
2311.3Sabyasachi Bhunia; Rai-Shung Liu
Gold-Catalyzed 1,3-Addition of a sp3-Hybridized C-H Bond to Alkenylcarbenoid Intermediate
Journal of the American Chemical Society, 2008, 130, 16488-16489
4108962 CIFC4 H30 I K2 N2 O24 P8 Pt2P 4 n c13.413; 13.413; 17.257
90; 90; 90
3104.7Hiroaki Iguchi; Shinya Takaishi; Takashi Kajiwara; Hitoshi Miyasaka; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto
Mixed Charge-Ordering State of MMX-Type Quasi-One-Dimensional Iodide-Bridged Platinum Complexes with Binary Countercations
Journal of the American Chemical Society, 2008, 130, 17668-17669
4118022 CIFC28 H48 Cl2 N9 TcP 4 n c13.484; 13.484; 9.799
90; 90; 90
1781.6Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram
Aryl and NHC Compounds of Technetium and Rhenium
Journal of the American Chemical Society, 2012, 134, 9118-9121
4121069 CIFC2.8 H3.73 Br0.08 N1.4 Ni0.27 O0.06P 4 n c17.2136; 17.2136; 32.7939
90; 90; 90
9717.1Xiao-Ping Zhou; Yuan Wu; Dan Li
Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation
Journal of the American Chemical Society, 2013, 135, 16062-16065
4121071 CIFC144 H192 N72 Ni14P 4 n c16.9957; 16.9957; 32.7949
90; 90; 90
9472.93Xiao-Ping Zhou; Yuan Wu; Dan Li
Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation
Journal of the American Chemical Society, 2013, 135, 16062-16065
4127348 CIFC144 H188 N76 Ni14 O12P 4 n c17.0704; 17.0704; 32.8329
90; 90; 90
9567.5Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan
Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State.
Journal of the American Chemical Society, 2019, 141, 11621-11627
4127350 CIFC144 H192 Cu6 N76 Ni8 O12P 4 n c17.00574; 17.00574; 33.0599
90; 90; 90
9560.76Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan
Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State.
Journal of the American Chemical Society, 2019, 141, 11621-11627
4128561 CIFC336 H348 Ag40 P8 S24P 4 n c29.9757; 29.9757; 25.6092
90; 90; 90
23011Yuan, Xiting; Sun, Cunfa; Li, Xihua; Malola, Sami; Teo, Boon K.; Häkkinen, Hannu; Zheng, Lan-Sun; Zheng, Nanfeng
Combinatorial Identification of Hydrides in a Ligated Ag<sub>40</sub> Nanocluster with Noncompact Metal Core.
Journal of the American Chemical Society, 2019, 141, 11905-11911
4303684 CIFC10 H15 Cl4 N5 O16 UP 4 n c10.655; 10.655; 11.1445
90; 90; 90
1265.22Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Peter Mayer
Nitrate and Perchlorate Complexes of Uranium(IV)
Inorganic Chemistry, 2009, 48, 10877-10879
4312815 CIFC46 H36 Cl5 F4 N8 Rh2P 4 n c15.2139; 15.2139; 9.6116
90; 90; 90
2224.7Karl M. Kadish; Tuan D. Phan; Lingamallu Giribabu; Eric Van Caemelbecke; John L. Bear
Substituent and Isomer Effects on Structural, Spectroscopic, and Electrochemical Properties of Dirhodium(III,II) Complexes Containing Four Identical Unsymmetrical Bridging Ligands
Inorganic Chemistry, 2003, 42, 8663-8673
4328996 CIFC4 H12 Cl2 Co N20P 4 n c9.7393; 9.7393; 8.4141
90; 90; 90
798.1Fang-Hua Zhao; Yun-Xia Che; Ji-Min Zheng; Fernande Grandjean; Gary J. Long
Two Acentric Mononuclear Molecular Complexes with Unusual Magnetic and Ferroelectric Properties
Inorganic Chemistry, 2012, 51, 4862-4868
4328997 CIFC4 H12 Cl2 Cu N20P 4 n c9.5134; 9.5134; 8.8507
90; 90; 90
801Fang-Hua Zhao; Yun-Xia Che; Ji-Min Zheng; Fernande Grandjean; Gary J. Long
Two Acentric Mononuclear Molecular Complexes with Unusual Magnetic and Ferroelectric Properties
Inorganic Chemistry, 2012, 51, 4862-4868
4329345 CIFC20 H20.25 N6 O6.125 ZnP 4 n c14.5956; 14.5956; 12.8842
90; 90; 90
2744.7Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid
Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors
Inorganic Chemistry, 2012, 51, 6180-6189
4330404 CIFC4 H30 I N2 O24 P8 Pt2 Rb2P 4 n c13.5079; 13.5079; 17.531
90; 90; 90
3198.8Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto
Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations
Inorganic Chemistry, 2012, 51, 9967-9977
4330405 CIFC3 H27 Cl I N2 O24 P8 Pt2 Rb2P 4 n c13.5401; 13.5401; 17.555
90; 90; 90
3218.4Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto
Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations
Inorganic Chemistry, 2012, 51, 9967-9977
4335534 CIFC208 H132 Cl16 Dy N20 O20 YP 4 n c24.469; 24.469; 17.8752
90; 90; 90
10702.5Jinglan Kan; Hailong Wang; Wei Sun; Wei Cao; Jun Tao; Jianzhuang Jiang
Sandwich-Type Mixed Tetrapyrrole Rare-Earth Triple-Decker Compounds. Effect of the Coordination Geometry on the Single-Molecule-Magnet Nature
Inorganic Chemistry, 2013, 52, 8505-8510
4335535 CIFC212 H129 Cl28 Dy2 N20 O16P 4 n c24.4126; 24.4126; 18.0724
90; 90; 90
10770.7Jinglan Kan; Hailong Wang; Wei Sun; Wei Cao; Jun Tao; Jianzhuang Jiang
Sandwich-Type Mixed Tetrapyrrole Rare-Earth Triple-Decker Compounds. Effect of the Coordination Geometry on the Single-Molecule-Magnet Nature
Inorganic Chemistry, 2013, 52, 8505-8510
4335536 CIFC212 H136 Cl28 Dy N20 O20 YP 4 n c24.4237; 24.4237; 18.1193
90; 90; 90
10808.5Jinglan Kan; Hailong Wang; Wei Sun; Wei Cao; Jun Tao; Jianzhuang Jiang
Sandwich-Type Mixed Tetrapyrrole Rare-Earth Triple-Decker Compounds. Effect of the Coordination Geometry on the Single-Molecule-Magnet Nature
Inorganic Chemistry, 2013, 52, 8505-8510
4346069 CIFC60 H77 N4 O20.5 Pb4P 4 n c20.7139; 20.7139; 8.143
90; 90; 90
3493.88Liu, Lin; Han, Zheng-Bo; Wang, Shi-Ming; Yuan, Da-Qiang; Ng, Seik Weng
Robust molecular bowl-based metal-organic frameworks with open metal sites: size modulation to increase the catalytic activity.
Inorganic chemistry, 2015, 54, 3719-3721
4346070 CIFC48 H56 O20 Pb4P 4 n c20.9045; 20.9045; 8.1317
90; 90; 90
3553.54Liu, Lin; Han, Zheng-Bo; Wang, Shi-Ming; Yuan, Da-Qiang; Ng, Seik Weng
Robust molecular bowl-based metal-organic frameworks with open metal sites: size modulation to increase the catalytic activity.
Inorganic chemistry, 2015, 54, 3719-3721
4502373 CIFC44 H42 Cd2 Cl2 N16 OP 4 n c11.924; 11.924; 14.885
90; 90; 90
2116.4Wang, Yong-Tao; Tang, Gui-Mei; Wei, Yong-Qin; Qin, Ting-Xiao; Li, Tian-Duo; He, Chao; Ling, Ji-Bei; Long, Xi-Fa; Weng Ng, Seik
Two New Nonlinear Optical and Ferroelectric Three-Dimensional Metal−Organic Frameworks with an sqp-net
Crystal Growth & Design, 2010, 10, 25
4502374 CIFC44 H42 Br2 Cd2 N16 OP 4 n c11.9525; 11.952; 15.0052
90; 90; 90
2143.59Wang, Yong-Tao; Tang, Gui-Mei; Wei, Yong-Qin; Qin, Ting-Xiao; Li, Tian-Duo; He, Chao; Ling, Ji-Bei; Long, Xi-Fa; Weng Ng, Seik
Two New Nonlinear Optical and Ferroelectric Three-Dimensional Metal−Organic Frameworks with an sqp-net
Crystal Growth & Design, 2010, 10, 25
4515375 CIFC18.5 H7 Cu2 O12P 4 n c26.777; 26.777; 18.7751
90; 90; 90
13461.9Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.
Ligand-Based Phase Control in Porous Molecular Assemblies.
ACS applied materials & interfaces, 2018, 10, 11420-11424
7005597 CIFC40 H39 Cu F12 N8 O7.5 P2P 4 n c17.183; 17.183; 8.128
90; 90; 90
2400Hoffart, Dennis J.; Habermehl, Nicolle C.; Loeb, Stephen J.
4,4'-Bipyridine-N-monoxide. A hybrid ligand for building networks using a combination of metal-ligand and hydrogen-bonding interactions.
Dalton transactions (Cambridge, England : 2003), 2007, 2870-2875
7005600 CIFC42 H36 F6 N8 O12 S2 ZnP 4 n c17.347; 17.347; 8.061
90; 90; 90
2425.7Hoffart, Dennis J.; Habermehl, Nicolle C.; Loeb, Stephen J.
4,4'-Bipyridine-N-monoxide. A hybrid ligand for building networks using a combination of metal-ligand and hydrogen-bonding interactions.
Dalton transactions (Cambridge, England : 2003), 2007, 2870-2875
7019011 CIFC26 H40 Cl Cu4 Mo12 N32 O40 P S8P 4 n c14.6513; 14.6513; 19.1456
90; 90; 90
4109.8Gong, Jingjing; Zhang, Weisong; Liu, Yang; Zhang, Hengchao; Hu, Hailiang; Kang, Zhenhui
Keggin polyanion and copper cluster based coordination polymer towards model for complex nanosystem.
Dalton transactions (Cambridge, England : 2003), 2012, 41, 5468-5471
7041903 CIFC28 H49 Cl N8 RuP 4 n c11.7656; 11.7656; 11.17831
90; 90; 90
1547.41Häller, L Jonas L; Mas-Marzá, Elena; Cybulski, Mateusz K.; Sanguramath, Rajashekharayya A.; Macgregor, Stuart A.; Mahon, Mary F.; Raynaud, Christophe; Russell, Christopher A.; Whittlesey, Michael K.
Computation provides chemical insight into the diverse hydride NMR chemical shifts of [Ru(NHC)4(L)H](0/+) species (NHC = N-heterocyclic carbene; L = vacant, H2, N2, CO, MeCN, O2, P4, SO2, H(-), F(-) and Cl(-)) and their [Ru(R2PCH2CH2PR2)2(L)H](+) congeners.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 2861-2873
7044008 CIFC64 H32 B F4 N16 YP 4 n c19.6812; 19.6812; 6.43784
90; 90; 90
2493.69Fukuda, Takamitsu; Onodera, Shun; Watanabe, Hirohito; Shirasaki, Kenji; Fuyuhiro, Akira; Yamamura, Tomoo; Ishikawa, Naoto
Observation of magnetic interactions between localized 4f- and itinerant π-electrons in a single crystal of cationic bisphthalocyanine complexes containing diluted spin centres
Dalton Trans., 2017
7044009 CIFC64 H32 B F4 N16 Tb0.05 Y0.95P 4 n c19.5834; 19.5834; 6.489
90; 90; 90
2488.59Fukuda, Takamitsu; Onodera, Shun; Watanabe, Hirohito; Shirasaki, Kenji; Fuyuhiro, Akira; Yamamura, Tomoo; Ishikawa, Naoto
Observation of magnetic interactions between localized 4f- and itinerant π-electrons in a single crystal of cationic bisphthalocyanine complexes containing diluted spin centres
Dalton Trans., 2017
7050753 CIFC24 H23 N4 O0.5P 4 n c15.039; 15.039; 8.896
90; 90; 90
2012Bensemann, Igor; Gdaniec, Maria; Połoński, Tadeusz
Supramolecular structures formed by 2-aminopyridine derivatives.
New Journal of Chemistry, 2002, 26, 448
7102328 CIFC132 H204 N52 O12 Zn16P 4 n c27.083; 27.083; 14.675
90; 90; 90
10764Li, Hong-Xi; Wu, Hua-Zhou; Zhang, Wen-Hua; Ren, Zhi-Gang; Zhang, Yong; Lang, Jian-Ping
Unique formation of two high-nuclearity metallamacrocycles from a mononuclear complex [Zn(dmpzdtc)2] (dmpzdtc=3,5-dimethylpyrazole-1-dithiocarboxylate) via CS2 elimination.
Chemical communications (Cambridge, England), 2007, 5052-5054

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