Crystallography Open Database

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1545608 CIFC124 H270 Ag41 Cr2 N7 O17 S30R -3 c22.6491; 22.6491; 71.0014
90; 90; 120		31542.7Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun
Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.
Nanoscale, 2017, 9, 5305-5314
1547542 CIFC108 H111 N3 O6R -3 c20.4648; 20.4648; 73.392
90; 90; 120		26619.2Chen, Zhongtao; Zhao, Xiangxiang; Gong, Xinyi; Xu, Di; Ma, Yuguo
Macrocyclic Trinuclear Nickel Phenoxyimine Catalysts for High-Temperature Polymerization of Ethylene and Isospecific Polymerization of Propylene
Macromolecules, 2017, 50, 6561
1547873 CIFC192 H216 Au37.01 Cu S24R -3 c19.4293; 19.4293; 129.434
90; 90; 120		42315Chai, Jinsong; Lv, Ying; Yang, Sha; Song, Yongbo; Zan, Xiaofeng; Li, Qinzhen; Yu, Haizhu; Wu, Mingzai; Zhu, Manzhou
X-ray Crystal Structure and Optical Properties of Au38‒xCux(2,4-(CH3)2C6H3S)24 (x = 0‒6) Alloy Nanocluster
The Journal of Physical Chemistry C, 2017, 121, 21665
1548414 CIFC12 H12 Ag2 F4 N2 O4R -3 c25.1849; 25.1849; 33.2733
90; 90; 120		18277.1Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer
Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls
Philosophical Transactions of the Royal Society A, 2017, 375, 1-16
1549465 CIFC105 H87 Au13 Cu4 N3 P3 Se9R -3 c24.2592; 24.2592; 74.473
90; 90; 120		37956.2Song, Yongbo; Lv, Ying; Zhou, Meng; Luo, Tian-Yi; Zhao, Shuo; Rosi, Nathaniel L.; Yu, Haizhu; Zhu, Manzhou; Jin, Rongchao
Single Ligand Exchange on an Au-Cu Bimetal Nanocluster and Mechanism
Nanoscale, 2018
1550198 CIFC162 H168 Ag34 F27 N6 O24 S20R -3 c30.37; 30.37; 39.4849
90; 90; 120		31539.2Zang, Shuang-Quan; Xi, Xiao-Juan; Yang, Jin-Sen; Wang, Jia-Yin; Dong, Xi-Yan
New stable isomorphous Ag34 and Ag33Au nanoclusters with open shell electronic structure
Nanoscale, 2018
1550199 CIFC162 H168 Ag33 Au F27 N6 O24 S20R -3 c30.3706; 30.3706; 39.4126
90; 90; 120		31482.7Zang, Shuang-Quan; Xi, Xiao-Juan; Yang, Jin-Sen; Wang, Jia-Yin; Dong, Xi-Yan
New stable isomorphous Ag34 and Ag33Au nanoclusters with open shell electronic structure
Nanoscale, 2018
1550675 CIFC80 H44 N4 O24 Zn5R -3 c54.3601; 54.3601; 42.0659
90; 90; 120		107652Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff
Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions
Chemical Science, 2019
2001660 CIF
Paper		Ir O6 Sr4R -3 c9.73439; 9.73439; 11.892
90; 90; 120		975.89Powell, A. V.; Battle, P. D.; Gore, J. G.
Structure of Sr~4~IrO~6~ by time-of-flight neutron powder diffraction
Acta Crystallographica Section C, 1993, 49, 852-854
2001839 CIF
Paper		Cs4 Mo21 S25R -3 c9.4543; 9.4543; 83.2
90; 90; 120		6440.4Gougeon, P.; Potel, M.
Cs~4~Mo~21~S~25~: a new structure type containing Mo~9~ and Mo~12~ condensed clusters
Acta Crystallographica Section C, 1993, 49, 427-430
2001979 CIF
Paper		C18 H54 Si8R -3 c16.154; 16.154; 22.859
90; 90; 120		5165.9Fronczek, F. R.; Lickiss, P. D.
Structure of the highly crowded alkyne di[tris(trimethylsilyl)methyl]acetylene and the octasilane hexakis(trimethylsilyl)disilane
Acta Crystallographica Section C, 1993, 49, 331-333
2010095 CIF
Paper		O12 P3 Rb Ti2R -3 c8.2896; 8.2896; 23.53
90; 90; 120		1400.3Duhlev, R.
RbTi~2~(PO~4~)~3~
Acta Crystallographica Section C, 1994, 50, 1525-1527
2021332 CIF
HKL
Paper		Fe Na4.96 O12 Si4R -3 c21.418; 21.418; 12.2911
90; 90; 120		4882.9Ahmadzadeh, Mostafa; Olds, Travis A.; Scrimshire, Alex; Bingham, Paul A.; McCloy, John S.
Structure and properties of Na~5~FeSi~4~O~12~ crystallized from 5Na~2~O‒Fe~2~O~3~‒8SiO~2~ glass
Acta Crystallographica Section C, 2018, 74
2102006 CIF
Paper		F Nb O2R -3 c5.52; 5.52; 13.52
90; 90; 120		356.768Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.
High-pressure transformations of NbO~2~F
Acta Crystallographica Section B, 2000, 56, 189-196
2102007 CIF
Paper		F Nb O2R -3 c5.3067; 5.3067; 13.5495
90; 90; 120		330.45Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.
High-pressure transformations of NbO~2~F
Acta Crystallographica Section B, 2000, 56, 189-196
2102008 CIF
Paper		F Nb O2R -3 c5.2357; 5.2357; 13.5542
90; 90; 120		321.78Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.
High-pressure transformations of NbO~2~F
Acta Crystallographica Section B, 2000, 56, 189-196
2102009 CIF
Paper		F Nb O2R -3 c5.1232; 5.1232; 13.6017
90; 90; 120		309.18Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.
High-pressure transformations of NbO~2~F
Acta Crystallographica Section B, 2000, 56, 189-196
2102010 CIF
Paper		F Nb O2R -3 c4.9462; 4.9462; 13.6689
90; 90; 120		289.61Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.
High-pressure transformations of NbO~2~F
Acta Crystallographica Section B, 2000, 56, 189-196
2102011 CIF
Paper		F Nb O2R -3 c4.8552; 4.8552; 13.7
90; 90; 120		279.68Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.
High-pressure transformations of NbO~2~F
Acta Crystallographica Section B, 2000, 56, 189-196
2102012 CIF
Paper		F Nb O2R -3 c4.8232; 4.8232; 13.7125
90; 90; 120		276.26Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.
High-pressure transformations of NbO~2~F
Acta Crystallographica Section B, 2000, 56, 189-196
2104122 CIF
Paper		Cr2 O3R -3 c4.958; 4.958; 13.59
90; 90; 120		289.3Yang, J.
Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data
Acta Crystallographica Section B, 2008, 64, 281-286
2104126 CIF
Paper		Cr0.3 La Ni0.7 O3R -3 c5.4831; 5.4831; 13.2091
90; 90; 120		343.919Yang, J.
Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data
Acta Crystallographica Section B, 2008, 64, 281-286
2104127 CIF
Paper		Cr0.2 La Ni0.8 O3R -3 c5.4809; 5.4809; 13.207
90; 90; 120		343.59Yang, J.
Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data
Acta Crystallographica Section B, 2008, 64, 281-286
2104128 CIF
Paper		Cr0.1 La Ni0.9 O3R -3 c5.4747; 5.4747; 13.199
90; 90; 120		342.6Yang, J.
Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data
Acta Crystallographica Section B, 2008, 64, 281-286
2104129 CIF
Paper		La Ni O3R -3 c5.4561; 5.4561; 13.1432
90; 90; 120		338.841Yang, J.
Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data
Acta Crystallographica Section B, 2008, 64, 281-286
2233748 CIF
HKL
Paper		C16 H30 Ag Cl N6R -3 c12.73; 12.73; 66.789
90; 90; 120		9373Topf, Christoph; Leitner, Sebastian; Monkowius, Uwe
μ~3~-Chlorido-tris(bis{1-[2-(dimethylamino)ethyl]-3-methylimidazol-2-ylidene}silver(I)) dichloride
Acta Crystallographica Section E, 2012, 68, m272
3500067 CIF
HKL		Al Cl3 H12 O6R -3 c11.8359; 11.8359; 11.8492
90; 90; 120		1437.55Maris, Thierry
Personal communication to COD, 2017
4085950 CIFC146 H178 B6 K6 O14R -3 c24.599; 24.599; 40.161
90; 90; 120		21046Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood
Ring Expansion Reactions of Electron-Rich Boron-Containing Heterocycles
Organometallics, 2015, 34, 3408
4126096 CIFC51 H34 Fe3 N6 O13R -3 c27.696; 27.696; 72.829
90; 90; 120		48380Zhang, Feng-Ming; Dong, Long-Zhang; Qin, Jun-Sheng; Guan, Wei; Liu, Jiang; Li, Shun-Li; Lu, Meng; Lan, Ya-Qian; Su, Zhong-Min; Zhou, Hong-Cai
Effect of Imidazole Arrangements on Proton-Conductivity in Metal-Organic Frameworks.
Journal of the American Chemical Society, 2017, 139, 6183-6189
4126909 CIFC18 Cl17 Cs3 N6 O78 Ti12R -3 c18.4438; 18.4438; 62.155
90; 90; 120		18311Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng
Titanium-Oxide Host Clusters with Exchangeable Guests.
Journal of the American Chemical Society, 2017
4337624 CIFC127 H192 Fe6 O59 P6 Tb6R -3 c16.8951; 16.8951; 103.8149
90; 90; 120		25663.3Pineda, Eufemio Moreno; Tuna, Floriana; Zheng, Yan-Zhen; Teat, Simon J.; Winpenny, Richard E. P.; Schnack, Jürgen; McInnes, Eric J. L.
Iron Lanthanide Phosphonate Clusters: {Fe6Ln6P6} Wells-Dawson-like Structures with D3d Symmetry.
Inorganic chemistry, 2014, 53, 3032-3038
4337625 CIFC127 H240 Fe6 Gd6 O59 P6R -3 c34.247; 34.247; 103.0464
90; 90; 120		104667Pineda, Eufemio Moreno; Tuna, Floriana; Zheng, Yan-Zhen; Teat, Simon J.; Winpenny, Richard E. P.; Schnack, Jürgen; McInnes, Eric J. L.
Iron Lanthanide Phosphonate Clusters: {Fe6Ln6P6} Wells-Dawson-like Structures with D3d Symmetry.
Inorganic chemistry, 2014, 53, 3032-3038
4337626 CIFC127 H192 Fe6 Gd6 O59 P6R -3 c16.8883; 16.8883; 103.953
90; 90; 120		25676.7Pineda, Eufemio Moreno; Tuna, Floriana; Zheng, Yan-Zhen; Teat, Simon J.; Winpenny, Richard E. P.; Schnack, Jürgen; McInnes, Eric J. L.
Iron Lanthanide Phosphonate Clusters: {Fe6Ln6P6} Wells-Dawson-like Structures with D3d Symmetry.
Inorganic chemistry, 2014, 53, 3032-3038
4337716 CIFH0 Mo12 Nd4 O53R -3 c17.3669; 17.3669; 25.4356
90; 90; 120		6643.8Cross, Justin N.; Cary, Samantha K.; Stritzinger, Jared T.; Polinski, Matthew J.; Albrecht Schmitt, Thomas E.
Synthesis and Spectroscopy of New Plutonium(III) and -(IV) Molybdates: Comparisons of Electronic Characteristics.
Inorganic chemistry, 2014, 53, 3148-3152
4342487 CIFC90 H78 B4 Co2 F16 N18 O6R -3 c18.885; 18.885; 101.44
90; 90; 120		31331Cullen, William; Hunter, Christopher A.; Ward, Michael D.
An Interconverting Family of Coordination Cages and a meso-Helicate; Effects of Temperature, Concentration, and Solvent on the Product Distribution of a Self-Assembly Process.
Inorganic chemistry, 2015, 54, 2626-2637
4505537 CIFC144 H72 O26 Zn8R -3 c24.527; 24.527; 71.355
90; 90; 120		37174Eryazici, Ibrahim; Farha, Omar K.; Hauser, Brad G.; Yazaydın, A. Özgür; Sarjeant, Amy A.; Nguyen, SonBinh T.; Hupp, Joseph T.
Two Large-Pore Metal‒Organic Frameworks Derived from a Single Polytopic Strut
Crystal Growth & Design, 2012, 12, 1075
4512539 CIFCu2 O11 Ta4R -3 c6.219; 6.219; 37.1067
90; 90; 120		1242.87King, Nacole; Sommer, Roger D.; Watkins-Curry, Pilanda; Chan, Julia Y.; Maggard, Paul A.
Synthesis, Structure, and Thermal Instability of the Cu2Ta4O11Phase
Crystal Growth & Design, 2015, 15, 552
4514303 CIFC60 H46 Co3 N6 O14R -3 c37.914; 37.914; 29.541
90; 90; 120		36775Zhang, Tao; Hu, Yue-Qiao; Mo, Zong-Wen; Liao, Pei-Qin; Sakiyama, Hiroshi; Han, Tian; Chen, Xiao-Ming; Zheng, Yan-Zhen
Cobalt(II) Magnetic Metal-Organic Framework with an Effective Kagomé Lattice, Large Surface Area, and High Spin-Canted Ordering Temperature.
ACS applied materials & interfaces, 2017, 9, 38181-38186
5910027 CIFC Co O3R -3 c5.67; 5.67; 5.67
48.14; 48.14; 48.14		92.66Wyckoff, R. W. G.
Page 275 from the second edition of Structure of Crystals by Wyckoff published by The Chemical Catalog Company, INC, New York in 1931 & http://www.crystallography.net/
The second edition of Structure of Crystals, 1931, 275-275
5910029 CIFC Mg O3R -3 c5.87; 5.87; 5.87
47.36; 47.36; 47.36		100.131Wyckoff, R. W. G.
Page 275 from the second edition of Structure of Crystals by Wyckoff published by The Chemical Catalog Company, INC, New York in 1931 & http://www.crystallography.net/
The second edition of Structure of Crystals, 1931, 275-275
5910061 CIFC O3 ZnR -3 c5.7; 5.7; 5.7
48.6; 48.6; 48.6		95.59Wyckoff, R. W. G.
Page 275 from the second edition of Structure of Crystals by Wyckoff published by The Chemical Catalog Company, INC, New York in 1931 & http://www.crystallography.net/
The second edition of Structure of Crystals, 1931, 275-275
5910089 CIFB In O3R -3 c5.841; 5.841; 5.841
48.1; 48.1; 48.1		101.164Wyckoff, R. W. G.
Page 54 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold PublishingCorporation, INC, Camden,N. J. in 1935 & http://www.crystallography.net/
The second edition supplement of The Structure of Crystals, 1935, 54-54
6000181 CIFAl2 Ca4 Cl2 H20 O16R -3 c5.7358; 5.7358; 46.849
90; 90; 120		1334.81Renaudin, G.; Kubel, F.; Rivera, J. P.; Francois, M.
Structural phase transition and high temperature phase structure of Friedels salt, 3CaO Al2O3 CaCl2 10H(2)O
Cement and Concrete Research, 1999, 29, 1937-1942
6000371 CIFCa3.75 Ir Ni0.25 O6R -3 c9.3013; 9.3013; 11.1554
90; 90; 120		835.8Claridge, J. B.; Layland, R. C.; Henley, W. H.; zur Loye, H. C.
The structure, characterization, and magnetic properties of Ca4-xNixIrO6 (x = 0.25, 0.5)
Zeitschrift Fur Anorganische Und Allgemeine Chemie, 1998, 624, 1951-1955
6000372 CIFCa3.5 Ir Ni0.5 O6R -3 c9.2723; 9.2723; 11.0825
90; 90; 120		825.17Claridge, J. B.; Layland, R. C.; Henley, W. H.; zur Loye, H. C.
The structure, characterization, and magnetic properties of Ca4-xNixIrO6 (x = 0.25, 0.5)
Zeitschrift Fur Anorganische Und Allgemeine Chemie, 1998, 624, 1951-1955
6000420 CIFO6 Rh Sr3 YR -3 c9.7598; 9.7598; 11.3152
90; 90; 120		933.42Layland, R. C.; Kirkland, S. L.; Nunez, P.; zur Loye, H. C.
Synthesis and characterization of new Rh(III) compounds with the K4CdCl6 structure-type: Sr3MRhO6 (M = Y, Sc, In)
Journal of Solid State Chemistry, 1998, 139, 416-421
6000421 CIFO6 Rh Sc Sr3R -3 c9.6833; 9.6833; 11.0478
90; 90; 120		897.13Layland, R. C.; Kirkland, S. L.; Nunez, P.; zur Loye, H. C.
Synthesis and characterization of new Rh(III) compounds with the K4CdCl6 structure-type: Sr3MRhO6 (M = Y, Sc, In)
Journal of Solid State Chemistry, 1998, 139, 416-421
6000422 CIF?R -3 c9.6473; 9.6473; 11.3597
90; 90; 120		915.61Layland, R. C.; Kirkland, S. L.; Nunez, P.; zur Loye, H. C.
Synthesis and characterization of new Rh(III) compounds with the K4CdCl6 structure-type: Sr3MRhO6 (M = Y, Sc, In)
Journal of Solid State Chemistry, 1998, 139, 416-421
6000452 CIFAl5 H30 K3 O44 P8R -3 c8.69; 8.69; 82.27
90; 90; 120		5380.37Dick, S.; Zeiske, T.
Francoanellite K~3~Al~5~(HPO~4~)~6~(PO~4~)~2~ . 12H~2~O: Structure and Synthesis by Topochemical Dehydration of Taranakite
Zeitschrift für Naturforschung B, 1998, 53, 711-719
6000650 CIFI6 Rb4 TmR -3 c14.1714; 14.1714; 17.47
90; 90; 120		3038.43Wang, S. H.; Wang, M. T.
Studies on divalent thulium ternary iodide
Gaodeng Xuexiao Huaxue Xuebao, 1998, 19, 335-339

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