Crystallography Open Database

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1008914 CIFB7 Mg3 O12.65 S0.85F -4 3 c12.097; 12.097; 12.097
90; 90; 90		1770.2Fouassier, C; Levasseur, A; Joubert, J C; Muller, J; Hagenmueller, P
Les systemes B2 O3 - MO - MS boracites M-S (M= Mg, Mn, Fe, Cd) et sodalites M-S (M= Co, Zn)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1970, 375, 202-208
1011284 CIFB14 Cl2 Mg6 O26F -4 3 c12.1; 12.1; 12.1
90; 90; 90		1771.6Mehmel, M
Kristallstrukturelle Untersuchungen an Borazit
Fortschritte der Mineralogie, 1932, 17, 436-438
1511652 CIFB7 Br Cu3 O13F -4 3 c11.955; 11.955; 11.955
90; 90; 90		1708.63Nelmes, R.J.; Hay, W.J.
Structural studies of boracites- VI. The cubic phase of cobalt iodine boracite, Co3 B7 O13 I, and of copper bromine boracite Cu3 B7 O13 Br
Journal of Physics C, 1981, 14, 5247-5257
1511653 CIFB7 Br Mn3 O13F -4 3 c12.31; 12.31; 12.31
90; 90; 90		1865.41Crottaz, O.; Schmid, H.; Kubel, F.
High temperature single crystal X-ray diffraction: structure of cubic manganese iodine and manganese bromine boracites
Journal of Solid State Chemistry, 1995, 120, 60-63
1511656 CIFB7 Cd2.988 O12.765 S1.88F -4 3 c12.491; 12.491; 12.491
90; 90; 90		1948.91Nelmes, R.J.; Gould, S.E.B.; Gould, R.O.
Structural studies of boracites. VII. Cadmium sulphur boracite at room temperature
Journal of Physics C, 1981, 14, 5259-5267
1511657 CIFB7 Cl Cr3 O13F -4 3 c12.132; 12.132; 12.132
90; 90; 90		1785.65Nelmes, R.J.; Thornley, F.R.
Structural studies of boracites. The cubic phase of chromium chlorine boracite, Cr3 B7 O13 Cl
Journal of Physics C, 1974, 7, 3855-3874
1511664 CIFB7 Co3 I O13F -4 3 c12.11; 12.11; 12.11
90; 90; 90		1775.96Bugakov, V.I.; Pakhomov, V.I.; Saifuddinov, V.Z.
Preparation and structure of Co3 B7 O13 I crystals
Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1980, 16, 142-144
1511673 CIFB7 Fe3 I O13F -4 3 c12.22869; 12.22869; 12.22869
90; 90; 90		1828.69Kubel, F.
Powder diffraction refinement of cubic and rhombohedral iron iodine boracite, Fe3 B7 O13 I
Ferroelectrics, 1994, 160, 61-65
1511677 CIFB7 I Mn3 O13F -4 3 c12.3404; 12.3404; 12.3404
90; 90; 90		1879.26Crottaz, O.; Kubel, F.; Schmid, H.
High temperature single crystal X-ray diffraction: structure of cubic manganese iodine and manganese bromine boracites
Journal of Solid State Chemistry, 1995, 120, 60-63
1511678 CIFB7 I Ni3 O13F -4 3 c12.044; 12.044; 12.044
90; 90; 90		1747.08Thornley, F.R.; Nelmes, R.J.
Structural studies of boracites: III. The cubic phase of nickel iodine boracite, Ni3 B7 O13 I, at room temperature
Journal of Physics C, 1976, 9, 665-680
1515861 CIFC32 H138 Cu4 F4 N12 O33F -4 3 c37.295; 37.295; 37.295
90; 90; 90		51874Seeber, Georg; Cooper, Geoffrey J. T.; Newton, Graham N.; Rosnes, Mali H.; Long, De-Liang; Kariuki, Benson M.; Kögerler, Paul; Cronin, Leroy
Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry
Chemical Science, 2010, 1, 62
1528553 CIFFe11.08 La Si1.92F -4 3 c11.4524; 11.4524; 11.4524
90; 90; 90		1502.07Han Mikyung; Miller, G.J.
An application of the "coloring problem": structure - composition - bonding relationships in the magnetocaloric materials La Fe(13-x) Si(x)
Industrial Heating, 2008, 47, 515-528
1532589 CIFAl96 K9.41 O384 Rb124.48 Si96F -4 3 c24.6645; 24.6645; 24.6645
90; 90; 90		15004.3Ikeda, T.; Kodaira, T.
Crystal structure annd magnetic properties of rubidium clusters in zeolite LTA
Studies in Surface Science and Catalysis, 2001, 135, 3416-3423
1535707 CIFI4 In KF -4 3 c19.908; 19.908; 19.908
90; 90; 90		7890.11Burnus, R.; Meyer, G.
Synthese und Kristallstrukturen der Alkali-Tetraiodoindate(III), AInI4 (A = Li, K, Rb, Cs)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1991, 602, 31-37
1541660 CIFB7 I Ni3 O13F -4 3 c12.016; 12.016; 12.016
90; 90; 90		1734.92Thornley, F.R.; Kennedy, N.S.J.; Nelmes, R.J.
Structural studies of boracites: IV. Thermal motion in cubic Ni3 B7 O13 I at 77
Journal of Physics C, 1976, 9, 681-692
1552094 CIFGa7 H12 Na5 O6 S13F -4 3 c17.577; 17.577; 17.577
90; 90; 90		5430Jack Rumble; Paz Vaqueiro
Na5(Ga4S)(GaS4)3 6H2O: A three-dimensional gallium sulphide containing a novel octahedral building block
Solid State Sciences, 2011, 13, 1137-1142
1553643 CIFC27 H33 B2 F11 Fe N6F -4 3 c29.3374; 29.3374; 29.3374
90; 90; 90		25250.2Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David
Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.
Chemical science, 2017, 8, 2448-2456
1553647 CIFC27 H33 B2 F11 N6 ZnF -4 3 c29.282; 29.282; 29.282
90; 90; 90		25107.4Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David
Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.
Chemical science, 2017, 8, 2448-2456
1554594 CIFC152 H144 Cd4 F24 N28 O24 S8F -4 3 c34.3297; 34.3297; 34.3297
90; 90; 90		40458.5Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.
Waterproof architectures through subcomponent self-assembly.
Chemical science, 2019, 10, 2006-2018
1562289 CIFAg4 H18 Mn5 N6 Se13 Sn3F -4 3 c19.1263; 19.1263; 19.1263
90; 90; 90		6996.69Xiong, Wei-Wei; Miao, Jianwei; Li, Pei-Zhou; Zhao, Yanli; Liu, Bin; Zhang, Qichun
{[M(NH3)6][Ag4M4Sn3Se13]}∞(M=Zn, Mn): Three-dimensional chalcogenide frameworks constructed from quaternary metal selenide clusters with two different transition metals
Journal of Solid State Chemistry, 2014, 218, 146-150
1562290 CIFAg4 H18 N6 Se13 Sn3 Zn5F -4 3 c18.9679; 18.9679; 18.9679
90; 90; 90		6824.3Xiong, Wei-Wei; Miao, Jianwei; Li, Pei-Zhou; Zhao, Yanli; Liu, Bin; Zhang, Qichun
{[M(NH3)6][Ag4M4Sn3Se13]}∞(M=Zn, Mn): Three-dimensional chalcogenide frameworks constructed from quaternary metal selenide clusters with two different transition metals
Journal of Solid State Chemistry, 2014, 218, 146-150
2001501 CIF
Paper		C12 H36 K4 O4 Si4F -4 3 c17.573; 17.573; 17.573
90; 90; 90		5426.7Pauer, F.; Sheldrick, G. M.
Structure of potassium silanolate at 153 K
Acta Crystallographica Section C, 1993, 49, 1283-1284
2018881 CIFB7 Cr3 I O13F -4 3 c12.214; 12.214; 12.214
90; 90; 90		1822.11Schmid, H.; Berset, G.; Monnier, A.
Cubic structure of chromium iodine borazite
Acta Crystallographica C (39,1983-), 1987, 43, 1243-1245
2018882 CIFB7 Cu3 I O13F -4 3 c12.0203; 12.0203; 12.0203
90; 90; 90		1736.78Depmeier, W.; Berset, G.; Schmid, H.; Boutellier, R.
Structure of boracite Cu3 B7 O13 I
Acta Crystallographica C (39,1983-), 1985, 41, 1694-1696
2102130 CIF
Paper		Al96 Ca48 O384 Si96F -4 3 c24.47; 24.47; 24.47
90; 90; 90		14652Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude
Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data
Acta Crystallographica Section B, 2000, 56, 766-772
2105430 CIFB7 Br Cr3 O13F -4 3 c12.134; 12.134; 12.134
90; 90; 90		1786.54Yvon, K.; Yoshida, M.; Schmid, H.; Kubel, F.
Cubic structure of chromium-bromine boracite at 298 and 113 K
Acta Crystallographica B (39,1983-), 1992, 48, 30-32
2106347 CIFB7 Cl Li4 O12F -4 3 c12.141; 12.141; 12.141
90; 90; 90		1789.63Jeitschko, W.; Bither, T.A.; Bierstedt, P.E.
Crystal structure and ionic conductivity of Li boracites
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2767-2775
2106953 CIFCl16 Si6F -4 3 c17.344; 17.344; 17.344
90; 90; 90		5217.32Fleming, D.K.
The crystal and molecular structure of dodecachloropentasilane silicon tetrachloride
Acta Crystallographica B (24,1968-38,1982), 1972, 28, 1233-1236
2216109 CIF
HKL
Paper		C12 H36 F4 Ga4 K4F -4 3 c17.76; 17.76; 17.76
90; 90; 90		5601.8Harald Krautscheid; Oliver Kluge
(KF)~4~·4GaMe~3~
Acta Crystallographica Section E, 2007, 63, m2690-m2690
2312407 CIF
Paper		Al3 B4 Cl Li4 O12F -4 3 c12.9839; 12.9839; 12.9839
90; 90; 90		2188.85Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi
Crystal structures of the alkali aluminoboracites <i>A</i><sub>4</sub>B<sub>4</sub>Al<sub>3</sub>O<sub>12</sub>Cl (<i>A</i> = Li, Na).
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 169-173
2312409 CIF
Paper		Al3 B4 Cl0.92 Na3.92 O12F -4 3 c13.5904; 13.5904; 13.5904
90; 90; 90		2510.13Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi
Crystal structures of the alkali aluminoboracites <i>A</i><sub>4</sub>B<sub>4</sub>Al<sub>3</sub>O<sub>12</sub>Cl (<i>A</i> = Li, Na).
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 169-173
4023219 CIFC120 H72 O16 Ti4F -4 3 c32.348; 32.348; 32.348
90; 90; 90		33848Bernd Schetter; Burkhard Ziemer; Gregor Schnakenburg; Rainer Mahrwald
Tetranuclear BINOL-Titanium Complex in Selective Direct Aldol Additions
Journal of Organic Chemistry, 2008, 73, 813-819
4100730 CIFH5 In7 Na5 O6 P0 S13F -4 3 c18.2136; 18.2136; 18.2136
90; 90; 90		6042.1Journal of the American Chemical Society, 2005
4111888 CIFC304 H296 Cd54 N4 O4 S80F -4 3 c48.344; 48.344; 48.344
90; 90; 90		112987Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng
Crystalline Superlattices from Single-Sized Quantum Dots
Journal of the American Chemical Society, 2005, 127, 11963-11965
4111889 CIFC384 H328 Cd54 O4 P4 S48 Se32F -4 3 c48.248; 48.248; 48.248
90; 90; 90		112315Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng
Crystalline Superlattices from Single-Sized Quantum Dots
Journal of the American Chemical Society, 2005, 127, 11963-11965
4117203 CIFC127.9 H130.9 Cl2.6 N4 NiF -4 3 c40.95; 40.95; 40.95
90; 90; 90		68669Daniel J. Nurco; Craig J. Medforth; Timothy P. Forsyth; Marilyn M. Olmstead; Kevin M. Smith
Conformational Flexibility in Dodecasubstituted Porphyrins
Journal of the American Chemical Society, 1996, 118, 10918-10919
4120768 CIFC164 H146 F24 N14 O8 P12 Re4F -4 3 c46.6523; 46.6523; 46.6523
90; 90; 90		101536Tatsuki Morimoto; Chiaki Nishiura; Marina Tanaka; Jana Rohacova; Yuki Nakagawa; Yusuke Funada; Kazuhide Koike; Youhei Yamamoto; Sayaka Shishido; Tatsuhiro Kojima; Takuro Saeki; Tomoji Ozeki; Osamu Ishitani
Ring-Shaped Re(I) Multinuclear Complexes with Unique Photofunctional Properties
Journal of the American Chemical Society, 2013, 135, 13266-13269
4301787 CIFC167 H156 Cu4 F24 N16 O12 P4F -4 3 c31.9148; 31.9148; 31.9148
90; 90; 90		32507Patrick E. Ryan; Christophe Lescop; Dominic Laliberté; Tamara Hamilton; Thierry Maris; James D. Wuest
Engineering New Metal-Organic Frameworks Built from Flexible Tetrapyridines Coordinated to Cu(II) and Cu(I)
Inorganic Chemistry, 2009, 48, 2793-2807
4301794 CIFC159 H152 Cu4 N20 O40F -4 3 c31.7641; 31.7641; 31.7641
90; 90; 90		32048.6Patrick E. Ryan; Christophe Lescop; Dominic Laliberté; Tamara Hamilton; Thierry Maris; James D. Wuest
Engineering New Metal-Organic Frameworks Built from Flexible Tetrapyridines Coordinated to Cu(II) and Cu(I)
Inorganic Chemistry, 2009, 48, 2793-2807
4301795 CIFC167 H156 B4 Cu4 F16 N16 O12F -4 3 c32.049; 32.049; 32.049
90; 90; 90		32919Patrick E. Ryan; Christophe Lescop; Dominic Laliberté; Tamara Hamilton; Thierry Maris; James D. Wuest
Engineering New Metal-Organic Frameworks Built from Flexible Tetrapyridines Coordinated to Cu(II) and Cu(I)
Inorganic Chemistry, 2009, 48, 2793-2807
4308050 CIFC108 H60 Cl4 Co Hg8 N6 O6 Te13F -4 3 c28.6613; 28.6613; 28.6613
90; 90; 90		23544.4Davi F. Back; Gelson N. M. de Oliveira; Robert A. Burrow; Ernesto E. Castellano; Ulrich Abram; Ernesto S. Lang
Mercury Bis(phenyltellurolate) as a Precursor for the Synthesis of Binary and Ternary Nanoclusters
Inorganic Chemistry, 2007, 46, 2356-2358
4308051 CIFC90 H60 Cl4 Hg8 N6 Ni O6 Te13F -4 3 c28.6613; 28.6613; 28.6613
90; 90; 90		23544.4Davi F. Back; Gelson N. M. de Oliveira; Robert A. Burrow; Ernesto E. Castellano; Ulrich Abram; Ernesto S. Lang
Mercury Bis(phenyltellurolate) as a Precursor for the Synthesis of Binary and Ternary Nanoclusters
Inorganic Chemistry, 2007, 46, 2356-2358
4309223 CIFC108 H144 Hg10 P4 Se16F -4 3 c37.1143; 37.1143; 37.1143
90; 90; 90		51124Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan
Controlled Synthesis of Ternary II-II'-VI Nanoclusters and the Effects of Metal Ion Distribution on Their Spectral Properties
Inorganic Chemistry, 2005, 44, 5447-5458
4314116 CIFK10 S17 Sn4 Zn4F -4 3 c19.923; 19.923; 19.923
90; 90; 90		7908Oleg Palchik; Ratnasabapathy G. Iyer; J. H. Liao; Mercouri G. Kanatzidis
K10M4Sn4S17 (M = Mn, Fe, Co, Zn): Soluble Quaternary Sulfides with the Discrete [M4Sn4S17]10- Supertetrahedral Clusters
Inorganic Chemistry, 2003, 42, 5052-5054
4315529 CIFC55 H104 Li O4 P3 Si6 SnF -4 3 c39.504; 39.504; 39.504
90; 90; 90		61649Keith Izod; John Stewart; Ewan R. Clark; William Clegg; Ross W. Harrington
Germanium(II) and Tin(II) Complexes of a Sterically Demanding Phosphanide Ligand
Inorganic Chemistry, 2010, 49, 4698-4707
4316213 CIFC108 H144 Cd4 Mn6 P4 Se16F -4 3 c37.295; 37.295; 37.295
90; 90; 90		51874Andreas Eichhöfer; Oliver Hampe; Sergei Lebedkin; Florian Weigend
Bistrimethylsilylamide Transition-Metal Complexes as Starting Reagents in the Synthesis of Ternary Cd-Mn-Se Cluster Complexes
Inorganic Chemistry, 2010, 49, 7331-7339
4329084 CIFC84 H48 Ni8 O118.72 P16 U12F -4 3 c36.38; 36.38; 36.38
90; 90; 90		48149Pius O. Adelani; Allen G. Oliver; Thomas E. Albrecht-Schmitt
Uranyl Heteropolyoxometalate: Synthesis, Structure, and Spectroscopic Properties
Inorganic Chemistry, 2012, 51, 4885-4887
4339377 CIFC432 H384 Cu12 N120 O120F -4 3 c55.983; 55.983; 55.983
90; 90; 90		175456Park, Jaejoon; Hong, Seunghee; Moon, Dohyun; Park, Mira; Lee, Kyungjin; Kang, Sangmi; Zou, Yang; John, Rohith P.; Kim, Ghyung Hwa; Lah, Myoung Soo
Porous metal-organic frameworks based on metal-organic polyhedra with nanosized cavities as supramolecular building blocks: two-fold interpenetrating primitive cubic networks of [Cu6L8]12+ nanocages.
Inorganic chemistry, 2007, 46, 10208-10213
4345120 CIFCu8 S12 Sn3F -4 3 c17.878; 17.878; 17.878
90; 90; 90		5714.2Zhang, Dan; Li, Guangshe; Peng, Yu; Li, Liping
Synthesis of a Ternary Thiostannate with 3D Channel Decorated by Hydronium for High Proton Conductivity.
Inorganic chemistry, 2017, 56, 208-212
4505115 CIFC42 H39 Ag1.5 F9 N3 O6 P1.5F -4 3 c35.8; 35.8; 35.8
90; 90; 90		45883Sumby, Christopher J.; Hardie, Michaele J.
Disentangling Disorder in the Three-Dimensional Coordination Network of {Ag3[Tris(2-pyridylmethyl)cyclotriguaiacylene]2}(PF6)3
Crystal Growth & Design, 2005, 5, 1321

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