Crystallography Open Database

Result : There are 60 entries in the selection

You can download the COD numbers of the selection as a text file

You can download all files as a single ZIP archive

Searching space group like 'P 4 n c'

COD ID: 1525586
CIF file Formula: - Al10.144 Ca19 Fe1.821 H9 Mg O78 Si18 -
Comments: Armbruster, 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 80 (2000) 109-116
Space group: P 4 n c
Cell volume: 2870.19
Cell parameters: 15.569; 15.569; 11.841; 90; 90; 90;  

COD ID: 1534196
CIF file Formula: - Hg I6 Tl4 -
Comments: Badikov, 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 40 (2004) 372-379
Space group: P 4 n c
Cell volume: 818.962
Cell parameters: 9.416; 9.416; 9.237; 90; 90; 90;  

COD ID: 1546055
CIF file Formula: - C36 H36 Cl2 N4 Ru -
Comments: Mosquera, 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)
Space group: P 4 n c
Cell volume: 1680
Cell parameters: 13.906; 13.906; 8.6877; 90; 90; 90;  

COD ID: 1556606
CIF file Formula: - C40 H48 N32 Ni4 O S8 -
Comments: Arefyeva, 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 6 (2018) 51
Space group: P 4 n c
Cell volume: 6222.9
Cell parameters: 18.4946; 18.4946; 18.193; 90; 90; 90;  

COD ID: 2015304
CIF file

HKL data

Original IUCr paper

 Formula: - C56 H48 Cd Cl2 N16 -
Comments: Feng, 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 62(5) (2006) m180-m182
Space group: P 4 n c
Cell volume: 2707.9
Cell parameters: 17.0805; 17.0805; 9.2818; 90; 90; 90;  

COD ID: 2022948
CIF file

HKL data

Original IUCr paper

 Formula: - C25 H16 Cl Fe N9 S -
Comments: Müller-Meinhard, Asmus; Jess, Inke; Näther, Christian Synthesis, crystal structure and properties of chloridotetrakis(pyridine-3-carbonitrile)thiocyanatoiron(II) Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1173-1178
Space group: P 4 n c
Cell volume: 1299.2
Cell parameters: 10.79412; 10.79412; 11.15065; 90; 90; 90;  

COD ID: 2202400
CIF file

HKL data

Original IUCr paper

 Formula: - C16 H24 Cl2 Cu N8 -
Comments: Ana 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 59(11) (2003) m1075-m1077
Space group: P 4 n c
Cell volume: 1044.7
Cell parameters: 9.8106; 9.8106; 10.8547; 90; 90; 90;  

COD ID: 4003456
CIF file Formula: - Ge4 K4 Li2 O13 Ti -
Comments: Xu, 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)
Space group: P 4 n c
Cell volume: 696.83
Cell parameters: 11.5984; 11.5984; 5.18; 90; 90; 90;  

COD ID: 4061450
CIF file Formula: - C50 H39 N8 O Ru2 -
Comments: Ren, Tong Iterative Synthesis of Oligoynes Capped by A Ru2-terminus Organometallics (2005)
Space group: P 4 n c
Cell volume: 2176
Cell parameters: 10.3951; 10.3951; 20.1372; 90; 90; 90;  

COD ID: 4067795
CIF file Formula: - C41 H41 Co O8 -
Comments: Bertrand, 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 31(1) (2012) 126
Space group: P 4 n c
Cell volume: 1794.13
Cell parameters: 15.6941; 15.6941; 7.2842; 90; 90; 90;  

COD ID: 4086148
CIF file Formula: - C28 H48 Mo N12 -
Comments: Ohki, Yasuhiro; Aoyagi, Keiya; Seino, Hidetake Synthesis and Protonation of N-Heterocyclic-Carbene-Supported Dinitrogen Complexes of Molybdenum(0) Organometallics 34(13) (2015) 3414
Space group: P 4 n c
Cell volume: 1618.2
Cell parameters: 12.113; 12.113; 11.029; 90; 90; 90;  

COD ID: 4104137
CIF file Formula: - C60 H80 Cu4 N8 O26 -
Comments: Cristian 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 131 (2009) 4586-4587
Space group: P 4 n c
Cell volume: 4432.4
Cell parameters: 17.3377; 17.3377; 14.7455; 90; 90; 90;  

COD ID: 4104138
CIF file Formula: - C60 H80 Cu4 N8 O32 -
Comments: Cristian 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 131 (2009) 4586-4587
Space group: P 4 n c
Cell volume: 4500.4
Cell parameters: 17.4666; 17.4666; 14.7514; 90; 90; 90;  

COD ID: 4104139
CIF file Formula: - C60 H80 Cu4 N8 O36 -
Comments: Cristian 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 131 (2009) 4586-4587
Space group: P 4 n c
Cell volume: 4434.4
Cell parameters: 17.363; 17.363; 14.709; 90; 90; 90;  

COD ID: 4104140
CIF file Formula: - C60 H80 Cu4 N8 O24 -
Comments: Cristian 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 131 (2009) 4586-4587
Space group: P 4 n c
Cell volume: 4531.2
Cell parameters: 17.5453; 17.5453; 14.7194; 90; 90; 90;  

COD ID: 4104141
CIF file Formula: - C60 H80 Cu4 N8 O26 -
Comments: Cristian 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 131 (2009) 4586-4587
Space group: P 4 n c
Cell volume: 4376.8
Cell parameters: 17.267; 17.267; 14.68; 90; 90; 90;  

COD ID: 4104142
CIF file Formula: - C15 H20 Cu N2 O9 -
Comments: Cristian 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 131 (2009) 4586-4587
Space group: P 4 n c
Cell volume: 4432
Cell parameters: 17.3525; 17.3525; 14.7188; 90; 90; 90;  

COD ID: 4104143
CIF file Formula: - C56 H80 Cu4 N8 O30 -
Comments: Cristian 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 131 (2009) 4586-4587
Space group: P 4 n c
Cell volume: 4419.4
Cell parameters: 17.1318; 17.1318; 15.0575; 90; 90; 90;  

COD ID: 4106833
CIF file Formula: - C24 H28 Bi2 Cl4 I6 N4 -
Comments: Nicolas 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 133 (2011) 14924-14927
Space group: P 4 n c
Cell volume: 1985.5
Cell parameters: 12.5278; 12.5278; 12.6511; 90; 90; 90;  

COD ID: 4108806
CIF file Formula: - C14 H16 O -
Comments: Sabyasachi 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 130 (2008) 16488-16489
Space group: P 4 n c
Cell volume: 2311.3
Cell parameters: 16.4925; 16.4925; 8.4974; 90; 90; 90;  

COD ID: 4108962
CIF file Formula: - C4 H30 I K2 N2 O24 P8 Pt2 -
Comments: Hiroaki 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 130 (2008) 17668-17669
Space group: P 4 n c
Cell volume: 3104.7
Cell parameters: 13.413; 13.413; 17.257; 90; 90; 90;  

COD ID: 4118022
CIF file Formula: - C28 H48 Cl2 N9 Tc -
Comments: Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram Aryl and NHC Compounds of Technetium and Rhenium Journal of the American Chemical Society 134 (2012) 9118-9121
Space group: P 4 n c
Cell volume: 1781.6
Cell parameters: 13.484; 13.484; 9.799; 90; 90; 90;  

COD ID: 4121069
CIF file Formula: - C2.8 H3.73 Br0.08 N1.4 Ni0.27 O0.06 -
Comments: Xiao-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 135 (2013) 16062-16065
Space group: P 4 n c
Cell volume: 9717.1
Cell parameters: 17.2136; 17.2136; 32.7939; 90; 90; 90;  

COD ID: 4121071
CIF file Formula: - C144 H192 N72 Ni14 -
Comments: Xiao-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 135 (2013) 16062-16065
Space group: P 4 n c
Cell volume: 9472.93
Cell parameters: 16.9957; 16.9957; 32.7949; 90; 90; 90;  

COD ID: 4127348
CIF file Formula: - C144 H188 N76 Ni14 O12 -
Comments: Zhang, 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 141(29) (2019) 11621-11627
Space group: P 4 n c
Cell volume: 9567.5
Cell parameters: 17.0704; 17.0704; 32.8329; 90; 90; 90;  

COD ID: 4127350
CIF file Formula: - C144 H192 Cu6 N76 Ni8 O12 -
Comments: Zhang, 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 141(29) (2019) 11621-11627
Space group: P 4 n c
Cell volume: 9560.76
Cell parameters: 17.00574; 17.00574; 33.0599; 90; 90; 90;  

COD ID: 4128561
CIF file Formula: - C336 H348 Ag40 P8 S24 -
Comments: Yuan, 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 141(30) (2019) 11905-11911
Space group: P 4 n c
Cell volume: 23011
Cell parameters: 29.9757; 29.9757; 25.6092; 90; 90; 90;  

COD ID: 4303684
CIF file Formula: - C10 H15 Cl4 N5 O16 U -
Comments: Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Peter Mayer Nitrate and Perchlorate Complexes of Uranium(IV) Inorganic Chemistry 48 (2009) 10877-10879
Space group: P 4 n c
Cell volume: 1265.22
Cell parameters: 10.655; 10.655; 11.1445; 90; 90; 90;  

COD ID: 4312815
CIF file Formula: - C46 H36 Cl5 F4 N8 Rh2 -
Comments: Karl 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 42 (2003) 8663-8673
Space group: P 4 n c
Cell volume: 2224.7
Cell parameters: 15.2139; 15.2139; 9.6116; 90; 90; 90;  

COD ID: 4328996
CIF file Formula: - C4 H12 Cl2 Co N20 -
Comments: Fang-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 51 (2012) 4862-4868
Space group: P 4 n c
Cell volume: 798.1
Cell parameters: 9.7393; 9.7393; 8.4141; 90; 90; 90;  

COD ID: 4328997
CIF file Formula: - C4 H12 Cl2 Cu N20 -
Comments: Fang-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 51 (2012) 4862-4868
Space group: P 4 n c
Cell volume: 801
Cell parameters: 9.5134; 9.5134; 8.8507; 90; 90; 90;  

COD ID: 4329345
CIF file Formula: - C20 H20.25 N6 O6.125 Zn -
Comments: Daniel 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 51 (2012) 6180-6189
Space group: P 4 n c
Cell volume: 2744.7
Cell parameters: 14.5956; 14.5956; 12.8842; 90; 90; 90;  

COD ID: 4330404
CIF file Formula: - C4 H30 I N2 O24 P8 Pt2 Rb2 -
Comments: Hiroaki 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 51 (2012) 9967-9977
Space group: P 4 n c
Cell volume: 3198.8
Cell parameters: 13.5079; 13.5079; 17.531; 90; 90; 90;  

COD ID: 4330405
CIF file Formula: - C3 H27 Cl I N2 O24 P8 Pt2 Rb2 -
Comments: Hiroaki 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 51 (2012) 9967-9977
Space group: P 4 n c
Cell volume: 3218.4
Cell parameters: 13.5401; 13.5401; 17.555; 90; 90; 90;  

COD ID: 4335534
CIF file Formula: - C208 H132 Cl16 Dy N20 O20 Y -
Comments: Jinglan 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 52 (2013) 8505-8510
Space group: P 4 n c
Cell volume: 10702.5
Cell parameters: 24.469; 24.469; 17.8752; 90; 90; 90;  

COD ID: 4335535
CIF file Formula: - C212 H129 Cl28 Dy2 N20 O16 -
Comments: Jinglan 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 52 (2013) 8505-8510
Space group: P 4 n c
Cell volume: 10770.7
Cell parameters: 24.4126; 24.4126; 18.0724; 90; 90; 90;  

COD ID: 4335536
CIF file Formula: - C212 H136 Cl28 Dy N20 O20 Y -
Comments: Jinglan 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 52 (2013) 8505-8510
Space group: P 4 n c
Cell volume: 10808.5
Cell parameters: 24.4237; 24.4237; 18.1193; 90; 90; 90;  

COD ID: 4346069
CIF file Formula: - C60 H77 N4 O20.5 Pb4 -
Comments: Liu, 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 54(8) (2015) 3719-3721
Space group: P 4 n c
Cell volume: 3493.88
Cell parameters: 20.7139; 20.7139; 8.143; 90; 90; 90;  

COD ID: 4346070
CIF file Formula: - C48 H56 O20 Pb4 -
Comments: Liu, 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 54(8) (2015) 3719-3721
Space group: P 4 n c
Cell volume: 3553.54
Cell parameters: 20.9045; 20.9045; 8.1317; 90; 90; 90;  

COD ID: 4502373
CIF file Formula: - C44 H42 Cd2 Cl2 N16 O -
Comments: Wang, 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 10(1) (2010) 25
Space group: P 4 n c
Cell volume: 2116.4
Cell parameters: 11.924; 11.924; 14.885; 90; 90; 90;  

COD ID: 4502374
CIF file Formula: - C44 H42 Br2 Cd2 N16 O -
Comments: Wang, 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 10(1) (2010) 25
Space group: P 4 n c
Cell volume: 2143.59
Cell parameters: 11.9525; 11.952; 15.0052; 90; 90; 90;  

COD ID: 4515375
CIF file Formula: - C18.5 H7 Cu2 O12 -
Comments: Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D. Ligand-Based Phase Control in Porous Molecular Assemblies. ACS applied materials & interfaces 10(14) (2018) 11420-11424
Space group: P 4 n c
Cell volume: 13461.9
Cell parameters: 26.777; 26.777; 18.7751; 90; 90; 90;  

COD ID: 7005597
CIF file Formula: - C40 H39 Cu F12 N8 O7.5 P2 -
Comments: Hoffart, 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) (issue 27) (2007) 2870-2875
Space group: P 4 n c
Cell volume: 2400
Cell parameters: 17.183; 17.183; 8.128; 90; 90; 90;  

COD ID: 7005600
CIF file Formula: - C42 H36 F6 N8 O12 S2 Zn -
Comments: Hoffart, 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) (issue 27) (2007) 2870-2875
Space group: P 4 n c
Cell volume: 2425.7
Cell parameters: 17.347; 17.347; 8.061; 90; 90; 90;  

COD ID: 7019011
CIF file Formula: - C26 H40 Cl Cu4 Mo12 N32 O40 P S8 -
Comments: Gong, 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) 41(18) (2012) 5468-5471
Space group: P 4 n c
Cell volume: 4109.8
Cell parameters: 14.6513; 14.6513; 19.1456; 90; 90; 90;  

COD ID: 7041903
CIF file Formula: - C28 H49 Cl N8 Ru -
Comments: Häller, 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) 46(9) (2017) 2861-2873
Space group: P 4 n c
Cell volume: 1547.41
Cell parameters: 11.7656; 11.7656; 11.17831; 90; 90; 90;  

COD ID: 7044008
CIF file Formula: - C64 H32 B F4 N16 Y -
Comments: Fukuda, 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)
Space group: P 4 n c
Cell volume: 2493.69
Cell parameters: 19.6812; 19.6812; 6.43784; 90; 90; 90;  

COD ID: 7044009
CIF file Formula: - C64 H32 B F4 N16 Tb0.05 Y0.95 -
Comments: Fukuda, 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)
Space group: P 4 n c
Cell volume: 2488.59
Cell parameters: 19.5834; 19.5834; 6.489; 90; 90; 90;  

COD ID: 7050753
CIF file Formula: - C24 H23 N4 O0.5 -
Comments: Bensemann, Igor; Gdaniec, Maria; Połoński, Tadeusz Supramolecular structures formed by 2-aminopyridine derivatives. New Journal of Chemistry 26(4) (2002) 448
Space group: P 4 n c
Cell volume: 2012
Cell parameters: 15.039; 15.039; 8.896; 90; 90; 90;  

COD ID: 7102328
CIF file Formula: - C132 H204 N52 O12 Zn16 -
Comments: Li, 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) (issue 47) (2007) 5052-5054
Space group: P 4 n c
Cell volume: 10764
Cell parameters: 27.083; 27.083; 14.675; 90; 90; 90;  

COD ID: 7106706
CIF file Formula: - C234 H249 Cl4 N9 Ni2 O59 -
Comments: Zhiou Li; Norifumi Kishi; Kimiko Hasegawa; Munetaka Akita; Michito Yoshizawa A Highly Fluorescent M2L4 Molecular Capsule with an Anthracene Shell Chem.Commun. 47 (2011) 8605
Space group: P 4 n c
Cell volume: 11294.2
Cell parameters: 19.4133; 19.4133; 29.968; 90; 90; 90;  

COD ID: 7216433
CIF file Formula: - C26 H40 Cl Cu4 N32 O40 P S8 W12 -
Comments: Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks? CrystEngComm 16(25) (2014) 5642
Space group: P 4 n c
Cell volume: 4137.4
Cell parameters: 14.703; 14.703; 19.139; 90; 90; 90;  

COD ID: 7231798
CIF file Formula: - C24 H16 Br2 N8 Ni -
Comments: Heine, Miriam; Fink, Lothar; Schmidt, Martin U. 3-Cyanopyridine as a bridging and terminal ligand in coordination polymers CrystEngComm 20(46) (2018) 7556
Space group: P 4 n c
Cell volume: 1259.27
Cell parameters: 10.9722; 10.9722; 10.46; 90; 90; 90;  

COD ID: 7231801
CIF file Formula: - C24 H16 Br2 Mn N8 -
Comments: Heine, Miriam; Fink, Lothar; Schmidt, Martin U. 3-Cyanopyridine as a bridging and terminal ligand in coordination polymers CrystEngComm 20(46) (2018) 7556
Space group: P 4 n c
Cell volume: 1300.03
Cell parameters: 11.2178; 11.2178; 10.3309; 90; 90; 90;  

COD ID: 7231804
CIF file Formula: - C24 H16 Br2 Co N8 -
Comments: Heine, Miriam; Fink, Lothar; Schmidt, Martin U. 3-Cyanopyridine as a bridging and terminal ligand in coordination polymers CrystEngComm 20(46) (2018) 7556
Space group: P 4 n c
Cell volume: 1273.69
Cell parameters: 11.0587; 11.0587; 10.4149; 90; 90; 90;  

COD ID: 7239718
CIF file Formula: - C32 H80 Gd9 N16 O50 -
Comments: Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms CrystEngComm 22(5) (2020) 915-923
Space group: P 4 n c
Cell volume: 4323.54
Cell parameters: 17.3; 17.3; 14.446; 90; 90; 90;  

COD ID: 7244981
CIF file Formula: - C272 H264 Cd8 N16 O68 Tb4 -
Comments: Ma, Yanan; Yang, Xiaoping; Leng, Xilong; Schipper, Desmond Construction of a Cd8Tb4 nanoring for luminescence response to 2,6-dipicolinic acid as an anthrax biomarker CrystEngComm (2022)
Space group: P 4 n c
Cell volume: 19555
Cell parameters: 29.8693; 29.8693; 21.918; 90; 90; 90;  

COD ID: 7246451
CIF file Formula: - C46 H47 N5 -
Comments: Habata, Yoichi; Wada, Ayumi; Lee, Eunji; Ju, Huieyong; Yoshiba, Yuki; Horita, Hiroki; Ishii, Jun-ichi; Ikeda, Mari; Kuwahara, Shunsuke A molecular sponge that exclusively adsorbs acetonitrile CrystEngComm 25(16) (2023) 2349-2352
Space group: P 4 n c
Cell volume: 1871
Cell parameters: 14.404; 14.404; 9.018; 90; 90; 90;  

COD ID: 7710673
CIF file Formula: - C16 H124 N40 O70 S8 V8 -
Comments: Xie, Zhenlang; An, Dongli; Weng, Weizheng; Zhou, Zhao-Hui Successive constructions of regular tetra-, hexa- and octanuclear microporous polyoxovanadates(III) for gas adsorptions Dalton Transactions (2022)
Space group: P 4 n c
Cell volume: 4898.84
Cell parameters: 17.5495; 17.5495; 15.9061; 90; 90; 90;  

COD ID: 9002335
CIF file Formula: - Al12 Ca18.76 H9 Mg0.148 Mn0.852 Na0.24 O78 Si18 -
Comments: Armbruster, T.; Gnos, E. P4/n and P4nc long-ranged ordering in low-temperature vesuvianites Sample: from N'chwaning II mine, RSA American Mineralogist 85 (2000) 563-569
Space group: P 4 n c
Cell volume: 2821.56
Cell parameters: 15.487; 15.487; 11.764; 90; 90; 90;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.