Crystallography Open Database

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1004050 CIFH0.66 O3.33 WF m m 27.359; 12.513; 7.704
90; 90; 90		709.4Gerand, B; Nowogrocki, G; Figlarz, M
A new tungsten trioxide hydrate, W O~3~ (H~2~ O)~0.33~: Preparation, characterization and crystallographic study
Journal of Solid State Chemistry, 1981, 38, 312-320
1504381 CIFC H2 I2F m m 27.1819; 12.912; 4.693
90; 90; 90		435.19Podsiadło, Marcin; Katrusiak, Andrzej
Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2.
The journal of physical chemistry. B, 2008, 112, 5355-5362
1504382 CIFC H2 I2F m m 26.9208; 12.695; 4.5338
90; 90; 90		398.34Podsiadło, Marcin; Katrusiak, Andrzej
Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2.
The journal of physical chemistry. B, 2008, 112, 5355-5362
1511172 CIFB Ge Li O4F m m 26.371; 6.365; 6.885
90; 90; 90		279.196Ihara, M.
The crystal structure of lithium boro-germanate, Li~2~OB~2~O~3~(GeO~2~)~2~
Journal of the Ceramic Association, Japan, 1971, 79, 152-155
1521964 CIFBi2 Ge0.6 O5.2 V0.4F m m 25.495; 5.516; 15.416
90; 90; 90		467.265Sooryanarayana, K.; Guru Row, T.N.; Varma, K.B.R.
Structural phase transitions in Bi2 V1-x Gex Co5.5-x/2 (x = 0.2, 0.4 and 0.6) single crystals: X-ray crystallographic study
Materials Research Bulletin, 1999, 34, 425-432
1524453 CIFCe Ga3.05 Pt0.95F m m 26.1; 6.113; 10.512
90; 90; 90		391.985Grin', Yu.; Hiebl, K.; Rogl, P.
Structural chemistry and magnetic behaviour of ternary gallides Re Ptx Ga4-x (RE= La, Ce, Pr, Nd, Sm)
Journal of the Less-Common Metals, 1988, 136, 329-338
1525677 CIFNa O5 V2F m m 222.606; 7.2219; 19.01
90; 90; 90		3103.54Bernert, A.; Fulde, P.; Chatterji, T.; Thalmeier, P.
Structure determination, valence and superexchange in the dimerized low temperature phase of alpha'-(Na V2 O5)
The European Physical Journal B, 2001, 21, 535-546
1525849 CIFCa1.5 Mn Nd0.5 O4F m m 25.385; 5.366; 11.81
90; 90; 90		341.261Daoudi, A.; le Flem, G.
Sur une Serie de Solutions Solides de Formule Ca2-x Lnx Mn O4 (Ln = Pr, Nd, Sm, Eu, Gd)
Journal of Solid State Chemistry, 1972, 5, 57-61
1531494 CIFBa Bi4 O15 Ti4F m m 241.857; 5.4551; 5.468
90; 90; 90		1248.53Fuentes, M.E.; Fernandez, J.F.; Mehta, A.; Lascano, L.; Chianelli, R.R.; Fuentes, L.; Camacho, H.
The crystal structure of Ba Bi4 Ti4 O15
Ferroelectrics, 2002, 269, 159-164
1531693 CIFBa2 Cu3 O7 Pb YF m m 25.4712; 5.4597; 27.8943
90; 90; 90		833.234Kirbyshire, A. L.; Greaves, C.
PbBa~2~Y~1-x~Ca~x~Cu~3~O~7+δ~: synthesis, structure and superconductivity
Superconductor Science and Technology, 2002, 15, 1048-1053
1535563 CIFC6 Br4 Cd Hg4 N6 S6F m m 222.3222; 18.4636; 6.3678
90; 90; 90		2624.48Mosset, A.; Bagieu-Beucher, M.; Lecchi, A.; Masse, R.; Zaccaro, J.
Crystal engineering strategy of thiocyanates for quadratic nonlinear optics. Hg3 Cd Cl2 (S C N)6 and Hg4 Cd Br4 (S C N)6
Solid State Sciences, 2002, 4, 827-834
1541825 CIFC3 H6 F6 N Na O6 S2F m m 213.185; 22.397; 8.247
90; 90; 90		2435.38Xue, L.-X.; Pennington, W.T.; Padgett, C.W.; DesMarteau, D.D.
Synthesis and structures of alkali metal salts of bis((trifluoromethyl) sulfonyl) imide
Solid State Sciences, 2002, 4, 1535-1545
1542399 CIFC20 H30 Br2 UF m m 214.9546; 17.323; 8.194
90; 90; 90		2122.7Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline
Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)
Inorganics, 2016, 4, 1
1574170 CIFC176 H80 In8 O64F m m 224.3316; 30.387; 18.6976
90; 90; 90		13824.3Li, Jiantang; Song, Zitong; Zhou, Xia; Wang, Xue; Feng, Meng; Wang, Dongmei; Chen, Banglin
Reticular chemistry guided function customization: a case study of constructing low-polarity channel for efficient C3H6/C2H4 separation
Chemical Science, 2025
2000352 CIF
Paper		C20 H30 Cl2 UF m m 214.913; 17.348; 8.168
90; 90; 90		2113.1Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B.
Bis(cyclopentadienyl) actinide(IV) compounds. I. The structure of dichlorobis(pentamethyl-η^5^-cyclopentadienyl)uranium(IV) and dichlorobis(pentamethyl-η^5^-cyclopentadienyl)thorium(IV)
Acta Crystallographica Section C, 1992, 48, 2135-2137
2000353 CIF
Paper		C20 H30 Cl2 ThF m m 214.939; 17.535; 8.201
90; 90; 90		2148.3Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B.
Bis(cyclopentadienyl) actinide(IV) compounds. I. The structure of dichlorobis(pentamethyl-η^5^-cyclopentadienyl)uranium(IV) and dichlorobis(pentamethyl-η^5^-cyclopentadienyl)thorium(IV)
Acta Crystallographica Section C, 1992, 48, 2135-2137
2002266 CIFCo O4 Sm2F m m 25.312; 5.363; 11.869
90; 90; 90		338.1Lehmann, U; Mueller-Buschbaum, Hk
Ein Beitrag zur Chemie der Oxocobaltate(II): La2 Co O4, Sm2 Co O4
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1980, 470, 59-63
2006756 CIF
Paper		C20 H30 Br2 ThF m m 215.018; 17.517; 8.226
90; 90; 90		2164Rabinovich, Daniel; Schimek, George L.; Pennington, William T.; Nielsen, Jon B.; Abney, Kent D.
Dibromobis(η^5^-pentamethylcyclopentadienyl)thorium(IV)
Acta Crystallographica Section C, 1997, 53, 1794-1797
2012993 CIF
HKL
Paper		C5 H3 I2 NF m m 26.8039; 17.011; 6.1959
90; 90; 90		717.1Holmes, Brian T.; Padgett, Clifford W.; Pennington, William T.
2,6-Diiodopyridine
Acta Crystallographica Section C, 2002, 58, o602-o603
2013502 CIF
HKL
Paper		C28 H32 Fe2 N4 O4F m m 29.9496; 36.295; 7.0643
90; 90; 90		2551.1Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Adducts of hexamethylenetetramine with ferrocenecarboxylic acid and ferrocene-1,1'-dicarboxylic acid: multiple disorder in space groups <i>Fmm</i>2 and <i>Cmcm</i>
Acta Crystallographica Section C, 2003, 59, m271-m274
2100677 CIF
HKL
Paper		C H2 I2F m m 27.3128; 13.074; 4.7465
90; 90; 90		453.8Marcin Podsiad{λ}o; Kamil F. Dziubek; Marek Szafranski; Andrzej Katrusiak
Molecular interactions in crystalline dibromomethane and diiodomethane, and the stabilities of their high-pressure and low-temperature phases
Acta Crystallographica Section B, 2006, 62, 1090-1098
2100678 CIF
HKL
Paper		C H2 I2F m m 27.411; 13.137; 4.7942
90; 90; 90		466.8Marcin Podsiad{λ}o; Kamil F. Dziubek; Marek Szafranski; Andrzej Katrusiak
Molecular interactions in crystalline dibromomethane and diiodomethane, and the stabilities of their high-pressure and low-temperature phases
Acta Crystallographica Section B, 2006, 62, 1090-1098
2103180 CIF
Paper		C20 H38 B2 UF m m 217.639; 15.172; 8.187
90; 90; 90		2191Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.
Some 60 new space-group corrections
Acta Crystallographica Section B, 2002, 58, 62-77
2103859 CIF
HKL
Paper		C13 H18 N3 O6 PF m m 218.7267; 22.6805; 7.0893
90; 90; 90		3011Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Phosphonopropionic acid as a building block in supramolecular chemistry: salts with organic diamines
Acta Crystallographica Section B, 2003, 59, 248-262
2311769 CIFC20 H24 N4 O4F m m 210.1183; 27.015; 7.1684
90; 90; 90		1959.5Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 879-890
2311770 CIFC20 H24 N4 O4F m m 210.1464; 27.166; 7.1898
90; 90; 90		1981.8Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 879-890
2311771 CIFC20 H24 N4 O4F m m 210.1732; 27.291; 7.2049
90; 90; 90		2000.3Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 879-890
4002013 CIFC88 H168 N16 O400 Si200F m m 213.7195; 35.2245; 22.1362
90; 90; 90		10697.6Smeets, Stef; Xie, Dan; McCusker, Lynne B.; Baerlocher, Christian; Zones, Stacey I.; Thompson, Joshua A.; Lacheen, Howard S.; Huang, Hua-Min
SSZ-45: A High-Silica Zeolite with Small Pore Openings, Large Cavities, and Unusual Adsorption Properties
Chemistry of Materials, 2014, 26, 3909-3913
4003866 CIFC81 H56 Hf6 N2 O36F m m 243.827; 21.4937; 24.7957
90; 90; 90		23357.7Hu, Xuefu; Wang, Zhiye; Su, Yuming; Chen, Peican; Jiang, Yibin; Zhang, Cankun; Wang, Cheng
Metal‒Organic Layers with an Enhanced Two-Photon Absorption Cross-Section and Up-Converted Emission
Chemistry of Materials, 2021
4117014 CIFCs6 Ge8 ZnF m m 222.09; 23.421; 12.467
90; 90; 90		6450.1Virginie Queneau; Slavi C. Sevov
Cs6Ge8Zn: A Zintl Phase with Isolated Heteroatomic Clusters of Ge8Zn
Journal of the American Chemical Society, 1997, 119, 8109-8110
4123874 CIFCl18 O8 Pb17F m m 235.4963; 5.832; 16.0912
90; 90; 90		3331.1Zhang, Hui; Zhang, Min; Pan, Shilie; Dong, Xiaoyu; Yang, Zhihua; Hou, Xueling; Wang, Zheng; Chang, Kelvin B.; Poeppelmeier, Kenneth R.
Pb17O8Cl18: A Promising IR Nonlinear Optical Material with Large Laser Damage Threshold Synthesized in an Open System.
Journal of the American Chemical Society, 2015, 137, 8360-8363
4126128 CIFC68 Hf6 O29F m m 242.669; 21.909; 24.6933
90; 90; 90		23084Cao, Lingyun; Lin, Zekai; Shi, Wenjie; Wang, Zi; Zhang, Cankun; Hu, Xuefu; Wang, Cheng; Lin, Wenbin
Exciton Migration and Amplified Quenching on Two-Dimensional Metal-Organic Layers.
Journal of the American Chemical Society, 2017, 139, 7020-7029
4131451 CIFC14 H12 N PF m m 29.779; 16.542; 6.543
90; 90; 90		1058.4Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; García-Iriepa, Cristina; Temprado, Manuel; Cummins, Christopher C.
Mechanism and Scope of Phosphinidene Transfer from Dibenzo-7-phosphanorbornadiene Compounds.
Journal of the American Chemical Society, 2017, 139, 10822-10831
4132811 CIFC44 H96 Cl4 O164 Zr36F m m 234.835; 43.607; 15.766
90; 90; 90		23949Choi, Jong In; Chun, Hyungphil; Lah, Myoung Soo
Zirconium-Formate Macrocycles and Supercage: Molecular Packing versus MOF-like Network for Water Vapor Sorption.
Journal of the American Chemical Society, 2018, 140, 10915-10920
4133526 CIFC14 H11 PF m m 29.5932; 16.8116; 6.1756
90; 90; 90		995.98Transue, Wesley J.; Nava, Matthew; Terban, Maxwell W.; Yang, Jing; Greenberg, Matthew W.; Wu, Gang; Foreman, Elizabeth S.; Mustoe, Chantal L.; Kennepohl, Pierre; Owen, Jonathan S.; Billinge, Simon J. L.; Kulik, Heather J.; Cummins, Christopher C.
Anthracene as a Launchpad for a Phosphinidene Sulfide and for Generation of a Phosphorus-Sulfur Material Having the Composition P<sub>2</sub>S, a Vulcanized Red Phosphorus That Is Yellow.
Journal of the American Chemical Society, 2019, 141, 431-440
4313244 CIFC11 H16 B TiF m m 29.1795; 13.0993; 8.852
90; 90; 90		1064.41Fu-Chen Liu; Ko-Yu Chen; Jung-Hua Chen; Gene-Hsian Lee; Shie-Ming Peng
Syntheses and Structures of Metallocene Methyltrihydroborate Derivativies: Cp2ZrCl{(μ-H)2BHCH3}, Cp2Zr{(μ-H)2BHCH3}2, and Cp2Ti{(μ-H)2BHCH3}
Inorganic Chemistry, 2003, 42, 1758-1763
4316345 CIFC96 H134 Co8 N18 O26 S8F m m 221.0575; 43.5121; 12.9662
90; 90; 90		11880.4Yanfeng Bi; Wuping Liao; Guancheng Xu; Ruiping Deng; Meiyan Wang; Zhijian Wu; Song Gao; Hongjie Zhang
Three p-tert-Butylthiacalix[4]arene-Supported Cobalt Compounds Obtained in One Pot Involving In Situ Formation of N6H2 Ligand
Inorganic Chemistry, 2010, 49, 7735-7740
4319914 CIFC16 H32 Cl4 Li2 O10 UF m m 213.3401; 14.9628; 13.1511
90; 90; 90		2625Janet A. Danis; Mavis R. Lin; Brian L. Scott; Bryan W. Eichhorn; Wolfgang H. Runde
Coordination Trends in Alkali Metal Crown Ether Uranyl Halide Complexes: The Series [A(Crown)]2[UO2X4] Where A = Li, Na, K and X = Cl, Br
Inorganic Chemistry, 2001, 40, 3389-3394
4328732 CIFC43 H113 Li O8 Si12 Sn9F m m 216.7649; 24.203; 23.937
90; 90; 90		9712.7Claudio Schrenk; Marco Neumaier; Andreas Schnepf
{Sn9[Si(SiMe3)3]3}- and {Sn8Si[Si(SiMe3)3]3}-: Variations of the E9 Cage of Metalloid Group 14 Clusters
Inorganic Chemistry, 2012, 51, 3989-3995
4509229 CIFC5 H5 Cd2 Cl2 N8 O0F m m 213.663; 37.256; 10.932
90; 90; 90		5565Tong, Xiao-Lan; Wang, Duo-Zhi; Hu, Tong-Liang; Song, Wei-Chao; Tao, Ying; Bu, Xian-He
Zinc and Cadmium Coordination Polymers with Bis(tetrazole) Ligands Bearing Flexible Spacers: Synthesis, Crystal Structures, and Properties
Crystal Growth & Design, 2009, 9, 2280
6000061 CIFAl6 N54 O7 Si30 Sm6 Sr10F m m 217.0694; 33.324; 9.9536
90; 90; 90		5661.8Lauterbach, Rainer; Schnick, Wolfgang
High-temperature synthesis and single-crystal X-ray structure determination of Sr10Sm6Si30Al6O7N54 - a layered sialon with an ordered distribution of Si, Al, O, and N
Solid State Sciences, 2000, 2, 463-472
7004544 CIFC3 H8 Er N9 O5F m m 26.6224; 11.2563; 14.1921
90; 90; 90		1057.93Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song
Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd)
Dalton Transactions, 2008, 6165-6169
7004545 CIFC3 H10 Eu N9 O5F m m 211.3328; 6.7392; 14.2821
90; 90; 90		1090.78Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song
Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd)
Dalton Transactions, 2008, 6165-6169
7004546 CIFC3 H2 N9 O5 YbF m m 26.5671; 11.2158; 14.1583
90; 90; 90		1042.8Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song
Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd)
Dalton Transactions, 2008, 6165-6169
7004549 CIFC3 H2 Dy N9 O5F m m 26.6654; 11.2803; 14.2135
90; 90; 90		1068.68Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song
Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd)
Dalton Transactions, 2008, 6165-6169
7004550 CIFC3 H7 Gd N9 O5F m m 26.7214; 11.312; 14.2721
90; 90; 90		1085.14Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song
Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd)
Dalton Transactions, 2008, 6165-6169
7004551 CIFC3 H7 N9 O5 PrF m m 26.7411; 11.3202; 14.281
90; 90; 90		1089.8Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song
Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd)
Dalton Transactions, 2008, 6165-6169
7004552 CIFC3 H2 N9 O5 TbF m m 26.6892; 11.2926; 14.2428
90; 90; 90		1075.88Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song
Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd)
Dalton Transactions, 2008, 6165-6169
7037709 CIFC4 H29 Cl3 K2 Mg2 O23 Ru2F m m 214.392; 15.699; 10.741
90; 90; 90		2426.8Yang, Jian-Hui; Cheng, Ru-Mei; Jia, Yan-Yan; Jin, Jin; Yang, Bing-Bing; Cao, Zhi; Liu, Bin
Chlorine and temperature directed self-assembly of Mg-Ru2(ii,iii) carbonates and particle size dependent magnetic properties.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 2945-2954
7051149 CIFCd Cl0.75 H2.5 Na0.75 O6 P1.5F m m 214.5678; 21.2602; 7.8893
90; 90; 90		2443.43Jayaraman, Krishnamoorthy; Choudhury, Amitava; Vaidhyanathan, Ramanathan; Rao, C. N. R.
A layered chlorophosphate, Na3[Cd4Cl3(HPO4)2(H2PO4)4], containing Na+ ions in the interlamellar space
New Journal of Chemistry, 2001, 25, 1199

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