Crystallography Open Database

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1000106 CIFAl Cs F4I -4 c 211.8101; 11.8101; 13.3741
90; 90; 90		1865.4Bentrup, U; Le Bail, A; Duroy, H; Fourquet, J L
Polymorphism of CsAlF~4~.Synthesis and structure of two new crystalline forms
European Journal of Solid State Inorganic Chemistry, 1992, 29, 371-381
1000175 CIFAl F4 RbI -4 c 211.666; 11.666; 12.551
90; 90; 90		1708.1Fourquet, J. L.; Plet, F.; de Pape, R.
RbAlF~4~: Structure of Its β Metastable Form and Description of the Mechanism of Its Irreversible and Topotactic Phase Transition β →α
Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1980, 36, 1997-2000
1000199 CIFAl F4 H4 NI -4 c 25.078; 5.078; 12.715
90; 90; 90		327.9Fourquet, J L; Plet, F; Courbion, G; Bulou, A; de Pape, R
Etude de la filiation structurale des phases M(I) Al F~4~ (M(I) = K, Rb, Tl, N H~4~, Cs)
Revue de Chimie Minerale, 1979, 16, 490-500
1000490 CIFCo Cs F4I -4 c 212.4476; 12.4476; 12.9277
90; 90; 90		2003.1Lacorre, P; Pannetier, J; Fleischer, T; Hoppe, R; Ferey, G
Ordered magnetic frustration: XVI.Magnetic structure of Cs Co F4 at 1.5 K
Journal of Solid State Chemistry, 1991, 93, 37-45
1000491 CIFCo Cs F4I -4 c 212.4353; 12.4353; 12.8612
90; 90; 90		1988.8Lacorre, P; Pannetier, J; Fleischer, T; Hoppe, R; Ferey, G
Ordered magnetic frustration: XVI.Magnetic structure of Cs Co F4 at 1.5 K
Journal of Solid State Chemistry, 1991, 93, 37-45
1010106 CIFBe H8 O8 SI -4 c 28.02; 8.02; 10.75
90; 90; 90		691.4Beevers, C A; Lipson, H
The Crystal Structure of Beryllium Sulphate Tetrahydrate, Be S O~4~ (H~2~ O)~4~
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1932, 82, 297-308
1509315 CIFAg F10 P Xe2I -4 c 28.467; 8.467; 12.745
90; 90; 90		913.69Ito, Y.; Hagiwara, R.; Tamada, O.; Matsumoto, K.
Synthetic, structural and thermal studies of Ag(I) - Xe F2 complex salts
Solid State Sciences, 2002, 4, 1465-1469
1514959 CIFC54 H52 N4 O2I -4 c 217.198; 17.198; 15.807
90; 90; 90		4675Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi
Synthesis and oxidation of cyclic tetraindole
Chemical Science, 2012, 3, 524
1514983 CIFC32.35 H29.7 Ni O6.09 Pt S4I -4 c 219.0697; 19.0697; 22.6005
90; 90; 90		8218.7Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.
Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions
Chemical Science, 2012, 3, 602
1515019 CIFC26 H40 I4 N12 O16I -4 c 216.8566; 16.8566; 14.5819
90; 90; 90		4143.37Raatikainen, Kari; Rissanen, Kari
Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels
Chemical Science, 2012, 3, 1235
1517044 CIFC44 H41 Eu N8 O10I -4 c 216.3271; 16.3271; 16.1084
90; 90; 90		4294.1Victor F. Shul-gin; Oleg V. Konnik; Susana V. Abkhairova; Alexey N. Gusev; Svetlana B. Meshkova; Anna V. Kiriyak; Eduard B. Rusanov; Miki Hasegawa; Wolfgang Linert
Anionic lanthanide complexes with 3-methyl-1-phenyl-4-formylpyrazole-5-one and hydroxonium as counter ion
Inorganica Chimica Acta, 2013, 402, 33-38
1517045 CIFC44 H41 N8 O10 SmI -4 c 216.2701; 16.2701; 16.1315
90; 90; 90		4270.3Victor F. Shul-gin; Oleg V. Konnik; Susana V. Abkhairova; Alexey N. Gusev; Svetlana B. Meshkova; Anna V. Kiriyak; Eduard B. Rusanov; Miki Hasegawa; Wolfgang Linert
Anionic lanthanide complexes with 3-methyl-1-phenyl-4-formylpyrazole-5-one and hydroxonium as counter ion
Inorganica Chimica Acta, 2013, 402, 33-38
1525305 CIFCe Ni4 Sn2I -4 c 27.753; 7.753; 7.869
90; 90; 90		472.998Skolozdra, R.V.; Yasnitskaya, I.V.; Komarovskaya, L.P.; Aksel'rud, L.G.
Crystal structure and magnetic susceptibility of the compounds R Ni Sn (R= rare earth metals)
Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1988, 24, 65-69
1527206 CIFMn7 O12 SiI -4 c 29.41; 9.41; 18.64
90; 90; 90		1650.54Bystroem, A.; Mason, B.
The crystal structure of Braunite, (Mn2 O3)3 Mn Si O3
Arkiv foer Kemi, Mineralogi och Geologi, B, 1943, 16, 1-8
1527467 CIFCu F4 K2I -4 c 25.858; 5.858; 25.42
90; 90; 90		872.317Haegele, R.; Babel, D.
Die Neubestimmung der K2 Cu F4 - Struktur
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1974, 409, 11-22
1538399 CIFO6 P4 S4I -4 c 29.065; 9.065; 13.55
90; 90; 90		1113.46Mijlhoff, F.C.; Portheine, J.C.; Romers, C.
The crystal structure of tetragonal P4 O6 S4
Recueil des Travaux Chimiques des Pays-Bas et de la Belgique, 1967, 86, 257-262
1539545 CIFCr F4 SrI -4 c 25.673; 5.673; 10.92
90; 90; 90		351.438von der Muehll, R.; Ravez, J.; Dumora, D.; Hagenmuller, P.
Deux Nouvelles Structures Difluorine et Trifluorine
Journal of Solid State Chemistry, 1970, 2, 262-268
1543081 CIFAg16 Mg16 Sb16I -4 c 29.1761; 9.1761; 12.696
90; 90; 90		1069.01Kirkham, Melanie J.; dos Santos, Antonio M.; Rawn, Claudia J.; Lara-Curzio, Edgar; Sharp, Jeff W.; Thompson, Alan J.
Abinitio determination of crystal structures of the thermoelectric material MgAgSb
Physical Review B, 2012, 85, 144120
1550921 CIFC5 H9.33 N1.33 O4 S20 Sn10I -4 c 229.1874; 29.1874; 57.5222
90; 90; 90		49003.4Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal
Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles
Chemical Science, 2019
1552822 CIFC178 H264 Cl8 O26 Y4I -4 c 225.8909; 25.8909; 59.13
90; 90; 90		39637Chen, Changjuan; Bai, Zhiyong; Cui, Yaqin; Cong, Yong; Pan, Xiaobo; Wu, Jincai
ppm-Level Thermally Switchable Yttrium Phenoxide Catalysts for Moisture-Insensitive and Controllably Immortal Polymerization of rac-Lactide
Macromolecules, 2018, 51, 6800
1568643 CIFC8 H18 Cl2 P2 PtI -4 c 211.6774; 11.6774; 18.9131
90; 90; 90		2579.02Reichl, Stephan; Balázs, Gábor; Scheer, Manfred
Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.
Chemical science, 2023, 14, 3834-3838
2005913 CIF
Paper		C16 H40 N2 S12 W2I -4 c 221.174; 21.174; 15.119
90; 90; 90		6778Mukherjee, A. K.; Das, P. K.; Mukherjee, M.; Chakraborty, P. K.; Bhattacharya, R.
Disorder in Bis(tetraethylammonium) Bis(μ-sulfido)bis[(1,2,3,4-tetrathiabutane-1,4-diyl-<i>S</i>,<i>S</i>)thiotungstate(V)]
Acta Crystallographica Section C, 1997, 53, 209-212
2008113 CIF
Paper		C9 H29 I O2 Sn3I -4 c 215.193; 15.193; 17.273
90; 90; 90		3987.1Saurage, Andrea S.; Billodeaux, Damon R.; Hammer, Robert P.; Fronczek, Frank R.
Di-μ-hydroxo-tris(trimethyltin) iodide at 100K
Acta Crystallographica Section C, 1999, 55, IUC9800076
2014882 CIF
HKL
Paper		C12 H13 F3 OI -4 c 214.1311; 14.1311; 20.2206
90; 90; 90		4037.81Linden, Anthony; Romański, Jarosław; Mlostoń, Grzegorz; Heimgartner, Heinz
Trifluoromethyl derivatives of pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane
Acta Crystallographica Section C, 2005, 61, o221-o226
2014929 CIF
Paper		B O20 P5 Sr6I -4 c 29.78393; 9.78393; 19.01318
90; 90; 90		1820.04Namsoo Shin; Jinyoung Kim; Docheon Ahn; Kee-Sun Sohn
A new strontium borophosphate, Sr~6~BP~5~O~20~, from synchrotron powder data
Acta Crystallographica Section C, 2005, 61, i54-i56
2101138 CIF
Paper		Be H8 O8 SI -4 c 28.012; 8.012; 10.712
90; 90; 90		687.63Kellersohn, T.; Delaplane, R. G.; Olovsson, I.
The synergetic effect in beryllium sulfate tetrahydrate ‒ an experimental electron-density study
Acta Crystallographica Section B, 1994, 50, 316-326
2101139 CIF
Paper		Be H8 O8 SI -4 c 27.9986; 7.9986; 10.705
90; 90; 90		684.88Kellersohn, T.; Delaplane, R. G.; Olovsson, I.
The synergetic effect in beryllium sulfate tetrahydrate ‒ an experimental electron-density study
Acta Crystallographica Section B, 1994, 50, 316-326
2101140 CIF
Paper		Be H8 O8 SI -4 c 27.9922; 7.9922; 10.702
90; 90; 90		683.59Kellersohn, T.; Delaplane, R. G.; Olovsson, I.
The synergetic effect in beryllium sulfate tetrahydrate ‒ an experimental electron-density study
Acta Crystallographica Section B, 1994, 50, 316-326
2101752 CIF
Paper		C9 H29 I O2 Sn3I -4 c 215.524; 15.524; 17.294
90; 90; 90		4167.76Marsh, R. E.
The perils of <i>Cc</i> revisited
Acta Crystallographica Section B, 1997, 53, 317-322
2108612 CIF
HKL		Mo O6 Pr2I -4 c 25.696; 5.696; 31.6796
90; 90; 90		1027.83Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I.
Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg
Acta Crystallographica Section B, 2020, 76
2108613 CIF
HKL		Mg0.026 Mo0.974 O5.94 Pr2I -4 c 25.6979; 5.6979; 31.7012
90; 90; 90		1029.21Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I.
Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg
Acta Crystallographica Section B, 2020, 76
2212806 CIF
HKL
Paper		C28 H50 Cu2 Mo N2 O2 S6I -4 c 215.2499; 15.2499; 32.0091
90; 90; 90		7444Li, Zhi-Hua; Du, Shao-Wu; Ng, Seik Weng
Bis(tetraethylammonium) μ-tetrathiomolybdenio(VI)-κ^4^<i>S</i>,<i>S</i>':<i>S</i>'':<i>S</i>'''-bis[(4-hydroxybenzenethiolato-κ<i>S</i>)cuprate(I)]
Acta Crystallographica Section E, 2007, 63, m929-m930
2230734 CIF
HKL
Paper		C14 H32 Cl2 Ni P2I -4 c 214.2402; 14.2402; 18.4369
90; 90; 90		3738.7Castellanos-Blanco, Nahury Y.; García, Juventino J.; Flores-Alamo, Marcos
[1,2-Bis(diisopropylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II)
Acta Crystallographica Section E, 2011, 67, m871
4027801 CIFAg As F10 Xe2I -4 c 28.4558; 8.4558; 12.8645
90; 90; 90		919.819Bartlett, N.; Hagiwara, R.; Hollander, F.; Maines, C.
The crystal structure of (Ag(XeF2)2)AsF6 formed in the oxidation of Xe by AgFAsF6
European Journal of Solid State Inorganic Chemistry, 1991, 28, 855-866
4062823 CIFC16 H32 N Ni P2I -4 c 214.6416; 14.6416; 18.4819
90; 90; 90		3962.1Organometallics, 2004
4062824 CIFC16 H32 N2 Ni P2I -4 c 214.3969; 14.3969; 19.0492
90; 90; 90		3948.3Organometallics, 2004
4087509 CIFC14 H32 Cl2 P2 PdI -4 c 214.308; 14.308; 18.642
90; 90; 90		3816Munjanja, Lloyd; Brennessel, William W.; Jones, William D.
Room-Temperature Carbon‒Sulfur Bond Activation by a Reactive (dippe)Pd Fragment
Organometallics, 2015, 34, 1716
4112242 CIFC16 H28 I O8 PI -4 c 210.5931; 10.593; 37.5286
90; 90; 90		4211.19Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur
The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+
Journal of the American Chemical Society, 2004, 126, 1632-1633
4112641 CIFC56 H64 Cl2 Cr3 I3 N12I -4 c 217.9292; 17.9292; 21.828
90; 90; 90		7016.7John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang
Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains
Journal of the American Chemical Society, 2004, 126, 7082-7096
4128100 CIFC68 H77 Co2 N4 O6I -4 c 230.049; 30.049; 53.137
90; 90; 90		47980Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai
Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework.
Journal of the American Chemical Society, 2019, 141, 6822-6826
4128101 CIFC68 H77 Co2 N4 O6I -4 c 230.63; 30.63; 53.381
90; 90; 90		50082Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai
Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework.
Journal of the American Chemical Society, 2019, 141, 6822-6826
4128102 CIFC68 H77 Co2 N4 O6I -4 c 231.034; 31.034; 53.217
90; 90; 90		51254Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai
Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework.
Journal of the American Chemical Society, 2019, 141, 6822-6826
4134203 CIFC88 H85 F20 N10 O6.5 Si2I -4 c 225.2251; 25.2251; 32.2322
90; 90; 90		20509.5Shimomura, Keito; Kai, Hiroto; Nakamura, Yuma; Hong, Yongseok; Mori, Shigeki; Miki, Koji; Ohe, Kouichi; Notsuka, Yusuke; Yamaoka, Yoshihisa; Ishida, Masatoshi; Kim, Dongho; Furuta, Hiroyuki
Bis-Metal Complexes of Doubly N-Confused Dioxohexaphyrins as Potential Near Infrared-II Photoacoustic Dyes.
Journal of the American Chemical Society, 2020
4313868 CIFC62 H76 Cl8 Co3 N14 O2I -4 c 217.9117; 17.9117; 21.9213
90; 90; 90		7033John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo
Increasing Solubility and Stability of Linear Tricobalt(II) Chains with depa (Diethyldipyridylamide) Ligands
Inorganic Chemistry, 2003, 42, 4425-4430
4313873 CIFC60 H76 Cl10 Co3 N12 O2I -4 c 217.8664; 17.8664; 21.9
90; 90; 90		6990.7John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo
Increasing Solubility and Stability of Linear Tricobalt(II) Chains with depa (Diethyldipyridylamide) Ligands
Inorganic Chemistry, 2003, 42, 4425-4430
4335767 CIFC76 H64 N4 P6 Pt2I -4 c 216.6096; 16.6096; 25.8471
90; 90; 90		7130.7Baofei Pan; Deirdra A. Evers-McGregor; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas
Multimetallic Complexes Featuring a Bridging N-heterocyclic Phosphido/Phosphenium Ligand: Synthesis, Structure, and Theoretical Investigation
Inorganic Chemistry, 2013, 52, 9583-9589
4339875 CIFC30 H36 N2 O8 Zn2I -4 c 213.3433; 13.3433; 27.8994
90; 90; 90		4967.3Dybtsev, Danil N.; Yutkin, Maxim P.; Peresypkina, Eugenia V.; Virovets, Alexander V.; Serre, Christian; Férey, Gérard; Fedin, Vladimir P.
Isoreticular homochiral porous metal-organic structures with tunable pore sizes.
Inorganic chemistry, 2007, 46, 6843-6845
4343275 CIFC28 H34 B2 F8 Fe N14 O8I -4 c 216.2226; 16.2226; 14.8493
90; 90; 90		3907.93Kershaw Cook, Laurence J.; Thorp-Greenwood, Flora L; Comyn, Tim P.; Cespedes, Oscar; Chastanet, Guillaume; Halcrow, Malcolm A.
Unexpected Spin-Crossover and a Low-Pressure Phase Change in an Iron(II)/Dipyrazolylpyridine Complex Exhibiting a High-Spin Jahn-Teller Distortion.
Inorganic chemistry, 2015, 54, 6319-6330
4343276 CIFC28 H34 Cl2 Fe N14 O16I -4 c 216.3995; 16.3995; 14.934
90; 90; 90		4016.4Kershaw Cook, Laurence J.; Thorp-Greenwood, Flora L; Comyn, Tim P.; Cespedes, Oscar; Chastanet, Guillaume; Halcrow, Malcolm A.
Unexpected Spin-Crossover and a Low-Pressure Phase Change in an Iron(II)/Dipyrazolylpyridine Complex Exhibiting a High-Spin Jahn-Teller Distortion.
Inorganic chemistry, 2015, 54, 6319-6330
4344042 CIFC72 H60 N6 Ni O22 U2I -4 c 226.3865; 26.3865; 47.5157
90; 90; 90		33082.7Thuéry, Pierre; Harrowfield, Jack
Structural Variations in the Uranyl/4,4'-Biphenyldicarboxylate System. Rare Examples of 2D →3D Polycatenated Uranyl-Organic Networks.
Inorganic chemistry, 2015, 54, 8093-8102

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