Crystallography Open Database

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4307652 CIFC8 H8 Cl0.25 Cu F6 N5 O3 PI 4/m c m9.7093; 9.7093; 14.005
90; 90; 90
1320.3F. Matthew Woodward; Pamela J. Gibson; Geoffrey B. Jameson; Christopher P. Landee; Mark M. Turnbull; Roger D. Willett
Two-Dimensional Heisenberg Antiferromagnets: Syntheses, X-ray Structures, and Magnetic Behavior of [Cu(pz)2](ClO4)2, [Cu(pz)2](BF4)2, and [Cu(pz)2(NO3)](PF6)
Inorganic Chemistry, 2007, 46, 4256-4266
4310786 CIFIn K Se4 SnI 4/m c m8.1929; 8.1929; 6.6882
90; 90; 90
448.94Seong-Ju Hwang; Ratnasabapathy G. Iyer; Pantelis N. Trikalitis; Andrew G. Ogden; Mercouri G. Kanatzidis
Cooling of Melts: Kinetic Stabilization and Polymorphic Transitions in the KInSnSe4 System
Inorganic Chemistry, 2004, 43, 2237-2239
4320320 CIFNb4 Pd0.5 Sb2 SiI 4/m c m10.3895; 10.3895; 4.9634
90; 90; 90
535.76Meitian Wang; William C. Sheets; Robert McDonald; Arthur Mar
Nb4Pd0.5ZSb2 (Z = Cr, Fe, Co, Ni, Si): The First Ordered Quaternary Variants of the W5Si3- Type Structure
Inorganic Chemistry, 2001, 40, 5199-5205
4320321 CIFCr0.28 Nb4 Pd0.5 Sb2 Si0.72I 4/m c m10.4407; 10.4407; 5.002
90; 90; 90
545.26Meitian Wang; William C. Sheets; Robert McDonald; Arthur Mar
Nb4Pd0.5ZSb2 (Z = Cr, Fe, Co, Ni, Si): The First Ordered Quaternary Variants of the W5Si3- Type Structure
Inorganic Chemistry, 2001, 40, 5199-5205
4320322 CIFFe Nb4 Pd0.5 Sb2I 4/m c m10.4825; 10.4825; 4.9543
90; 90; 90
544.39Meitian Wang; William C. Sheets; Robert McDonald; Arthur Mar
Nb4Pd0.5ZSb2 (Z = Cr, Fe, Co, Ni, Si): The First Ordered Quaternary Variants of the W5Si3- Type Structure
Inorganic Chemistry, 2001, 40, 5199-5205
4320323 CIFCo Nb4 Pd0.5 Sb2I 4/m c m10.4603; 10.4603; 4.9457
90; 90; 90
541.15Meitian Wang; William C. Sheets; Robert McDonald; Arthur Mar
Nb4Pd0.5ZSb2 (Z = Cr, Fe, Co, Ni, Si): The First Ordered Quaternary Variants of the W5Si3- Type Structure
Inorganic Chemistry, 2001, 40, 5199-5205
4320324 CIFNb4 Ni0.776 Pd0.5 Sb2I 4/m c m10.4332; 10.4332; 4.9649
90; 90; 90
540.44Meitian Wang; William C. Sheets; Robert McDonald; Arthur Mar
Nb4Pd0.5ZSb2 (Z = Cr, Fe, Co, Ni, Si): The First Ordered Quaternary Variants of the W5Si3- Type Structure
Inorganic Chemistry, 2001, 40, 5199-5205
4321800 CIFC12 H14 Cu F4 N6 O3 WI 4/m c m9.745; 9.745; 16.565
90; 90; 90
1573.1Kevin R. Heier; Alexander J. Norquist; P. Shiv Halasyamani; Angel Duarte; Charlotte L. Stern; Kenneth R. Poeppelmeier
The Polar [WO2F4]2- Anion in the Solid State
Inorganic Chemistry, 1999, 38, 762-767
4323194 CIFCd2 K0.37I 4/m c m9.169; 9.169; 2.8779
90; 90; 90
241.95Evgeny Todorov; Slavi C. Sevov
Intermetallic Frameworks: Synthesis, Characterization, and Bonding of K0.4Cd2 and Na26Cd141
Inorganic Chemistry, 1998, 37, 6341-6345
4324105 CIFC30 H12 Fe N6 O8I 4/m c m12.413; 12.413; 23.03
90; 90; 90
3549Satoru Shimomura; Nobuhiro Yanai; Ryotaro Matsuda; Susumu Kitagawa
Impact of Metal-Ion Dependence on the Porous and Electronic Properties of TCNQ-Dianion-Based Porous Coordination Polymers
Inorganic Chemistry, 2011, 50, 172-177
4324109 CIFC22 H12 Fe N6I 4/m c m12.377; 12.377; 22.9
90; 90; 90
3508Satoru Shimomura; Nobuhiro Yanai; Ryotaro Matsuda; Susumu Kitagawa
Impact of Metal-Ion Dependence on the Porous and Electronic Properties of TCNQ-Dianion-Based Porous Coordination Polymers
Inorganic Chemistry, 2011, 50, 172-177
4327451 CIFCe10 Cl4 Ga5I 4/m c m7.9546; 7.9546; 31.793
90; 90; 90
2011.7Chong Zheng; Oliver Oeckler; Arndt Simon
Ce10Cl4Ga5 and Ln3ClGa4 (Ln = La, Ce): Reduced Halides or Oxidized Intermetallics?
Inorganic Chemistry, 2003, 42, 3130-3135
4327452 CIFCl Ga4 La3I 4/m c m8.1955; 8.1955; 11.363
90; 90; 90
763.21Chong Zheng; Oliver Oeckler; Arndt Simon
Ce10Cl4Ga5 and Ln3ClGa4 (Ln = La, Ce): Reduced Halides or Oxidized Intermetallics?
Inorganic Chemistry, 2003, 42, 3130-3135
4327453 CIFCe3 Cl Ga4I 4/m c m8.1123; 8.1123; 11.229
90; 90; 90
738.97Chong Zheng; Oliver Oeckler; Arndt Simon
Ce10Cl4Ga5 and Ln3ClGa4 (Ln = La, Ce): Reduced Halides or Oxidized Intermetallics?
Inorganic Chemistry, 2003, 42, 3130-3135
4328185 CIFAu4 Ga4 K1.11I 4/m c m8.861; 8.861; 4.8339
90; 90; 90
379.5Volodymyr Smetana; John D. Corbett; Gordon J. Miller
Four Polyanionic Compounds in the K-Au-Ga System: A Case Study in Exploratory Synthesis and of the Art of Structural Analysis
Inorganic Chemistry, 2012, 51, 1695-1702
4329710 CIFAu4 Ga4 Na1.11I 4/m c m8.718; 8.718; 4.857
90; 90; 90
369.15Volodymyr Smetana; Gordon J. Miller; John D. Corbett
Three Alkali-Metal-Gold-Gallium Systems. Ternary Tunnel Structures and Some Problems with Poorly Ordered Cations
Inorganic Chemistry, 2012, 51, 7711-7721
4329711 CIFAu4 Ga4 Rb1.12I 4/m c m8.9496; 8.9496; 4.8293
90; 90; 90
386.8Volodymyr Smetana; Gordon J. Miller; John D. Corbett
Three Alkali-Metal-Gold-Gallium Systems. Ternary Tunnel Structures and Some Problems with Poorly Ordered Cations
Inorganic Chemistry, 2012, 51, 7711-7721
4329712 CIFAu4 Cs1.08 Ga4I 4/m c m9.0773; 9.0773; 4.8154
90; 90; 90
396.78Volodymyr Smetana; Gordon J. Miller; John D. Corbett
Three Alkali-Metal-Gold-Gallium Systems. Ternary Tunnel Structures and Some Problems with Poorly Ordered Cations
Inorganic Chemistry, 2012, 51, 7711-7721
4330315 CIFC58 H56 Mg N12 O8I 4/m c m16.9582; 16.9582; 19.6
90; 90; 90
5636.6Sk Asif Ikbal; Sanfaori Brahma; Sankar Prasad Rath
Building-up Remarkably Stable Magnesium Porphyrin Polymers Self-Assembled via Bidentate Axial Ligands: Synthesis, Structure, Surface Morphology, and Effect of Bridging Ligands
Inorganic Chemistry, 2012, 51, 9666-9676
4330748 CIFBa2 Ga Pr S5I 4/m c m8.1634; 8.1634; 13.6093
90; 90; 90
906.94Kai Feng; Youguo Shi; Wenlong Yin; Wendong Wang; Jiyong Yao; Yicheng Wu
Ba3LnInS6 (Ln = Pr, Sm, Gd, Yb) and Ba2LnGaS5 (Ln = Pr, Nd): Syntheses, Structures, and Magnetic and Optical Properties
Inorganic Chemistry, 2012, 51, 11144-11149
4330749 CIFBa2 Ga Nd S5I 4/m c m8.1061; 8.1061; 13.541
90; 90; 90
889.8Kai Feng; Youguo Shi; Wenlong Yin; Wendong Wang; Jiyong Yao; Yicheng Wu
Ba3LnInS6 (Ln = Pr, Sm, Gd, Yb) and Ba2LnGaS5 (Ln = Pr, Nd): Syntheses, Structures, and Magnetic and Optical Properties
Inorganic Chemistry, 2012, 51, 11144-11149
4330785 CIFCa0.2 H0.2 O2.8 Sr0.8 TiI 4/m c m5.50506; 5.50506; 7.7972
90; 90; 90
236.299Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama
Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
Inorganic Chemistry, 2012, 51, 11371-11376
4330786 CIFCa0.4 H0.11 O2.89 Sr0.6 TiI 4/m c m5.48347; 5.48347; 7.7796
90; 90; 90
233.92Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama
Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
Inorganic Chemistry, 2012, 51, 11371-11376
4331391 CIFAg Au F4I 4/m c m5.79109; 5.79109; 10.8168
90; 90; 90
362.76Graudejus, O.; Wilkinson, A.P.; Bartlett, N.
Structural features of Ag (Au F4) and Ag (Au F6) and the structuralrelationship of Ag (Ag F4)2 and Au (Au F4)2 to Ag (Au F4)2
Inorganic Chemistry, 2000, 39, 1545-1548
4333665 CIFBa2 In1.76 Mn0.24 O5.24I 4/m c m5.9896; 5.9896; 16.949
90; 90; 90
608.05Peng Jiang; Jun Li; A. Ozarowski; Arthur W. Sleight; M. A. Subramanian
Intense Turquoise and Green Colors in Brownmillerite-Type Oxides Based on Mn5+ in Ba2In2-xMnxO5+x
Inorganic Chemistry, 2013, 52, 1349-1357
4334909 CIFC27 H21 Br2 N5 Ni O2I 4/m c m17.9094; 17.9094; 21.9653
90; 90; 90
7045.3Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto
3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities
Inorganic Chemistry, 2013, 52, 6055-6061
4336313 CIFBa3 Cl In Se4I 4/m c m8.5356; 8.5356; 15.015
90; 90; 90
1093.9Kai Feng; Wenlong Yin; Zuohong Lin; Jiyong Yao; Yicheng Wu
Five New Chalcohalides, Ba3GaS4X (X = Cl, Br), Ba3MSe4Cl (M = Ga, In), and Ba7In2Se6F8: Syntheses, Crystal Structures, and Optical Properties
Inorganic Chemistry, 2013, 52, 11503-11508
4336455 CIF
HKL
Ba7 O0.5 S12.5 U V2I 4/m c m16.0749; 16.0749; 9.5003
90; 90; 90
2454.9Adel Mesbah; Wojciech Stojko; Christos D. Malliakas; Sébastien Lebègue; Nicolas Clavier; James A. Ibers
The Flexible Ba7UM2S12.5O0.5 (M = V, Fe) Compounds: Syntheses, Structures and Spectroscopic, Resistivity, and Electronic Properties
Inorganic Chemistry, 2013, 52, 12057-12063
4337790 CIFB7 Ba12 F4 Na O21I 4/m c m13.6443; 13.6443; 15.0214
90; 90; 90
2796.5Zhao, Jing; Li, R. K.
Two New Barium Borate Fluorides ABa12(BO3)7F4 (A = Li and Na).
Inorganic chemistry, 2014, 53, 2501-2505
4337791 CIFB7 Ba12 F4 Li O21I 4/m c m13.5709; 13.5709; 14.9908
90; 90; 90
2760.8Zhao, Jing; Li, R. K.
Two New Barium Borate Fluorides ABa12(BO3)7F4 (A = Li and Na).
Inorganic chemistry, 2014, 53, 2501-2505
4338291 CIFC208 H96 Cl4 Mn4 N16 O72 Zn16I 4/m c m30.4589; 30.4589; 44.287
90; 90; 90
41087Yang, Xiu-Li; Wu, Chuan-De
Metalloporphyrinic framework containing multiple pores for highly efficient and selective epoxidation.
Inorganic chemistry, 2014, 53, 4797-4799
4339091 CIFAu6 In4 K1.76I 4/m c m8.665; 8.665; 14.19
90; 90; 90
1065.4Li, Bin; Corbett, John D.
Different cation arrangements in Au-In networks. Syntheses and structures of six intermetallic compounds in alkali-metal-Au-In systems.
Inorganic chemistry, 2007, 46, 6022-6028
4339242 CIFSb2 TiI 4/m c m6.66; 6.66; 5.818
90; 90; 90
258.1Armbrüster, Marc; Schnelle, Walter; Schwarz, Ulrich; Grin, Yuri
Chemical bonding in TiSb(2) and VSb(2): a quantum chemical and experimental study.
Inorganic chemistry, 2007, 46, 6319-6328
4339243 CIFSb2 V0.96I 4/m c m6.562; 6.562; 5.643
90; 90; 90
243Armbrüster, Marc; Schnelle, Walter; Schwarz, Ulrich; Grin, Yuri
Chemical bonding in TiSb(2) and VSb(2): a quantum chemical and experimental study.
Inorganic chemistry, 2007, 46, 6319-6328
4339616 CIFLu7 Sb3I 4/m c m15.5974; 15.5974; 8.813
90; 90; 90
2144Gupta, Shalabh; Chen, Ling; Ganguli, Ashok K.; Corbett, John D.
Rare-earth metal-rich antimonides: syntheses, structures, and properties of Tm(3)Sb and Lu(7)Sb(3).
Inorganic chemistry, 2007, 46, 2187-2192
4339855 CIFBi1.6 Eu3 Sn3.4I 4/m c m8.8255; 8.8255; 12.564
90; 90; 90
978.6Ge, Ming-Hui; Corbett, John D.
Synthesis, structure, and bonding of Eu3Bi(Sn,Bi)4. A rare inverse-Cr5B3-type structure with a new tin/bismuth network.
Inorganic chemistry, 2007, 46, 6864-6870
4341283 CIFBa Te5 U2I 4/m c m8.3194; 8.3194; 14.562
90; 90; 90
1007.87Prakash, Jai; Tarasenko, Mariya S.; Mesbah, Adel; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.
Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies of Five Members of the MAn2Q5 Family: SrU2S5, BaU2Se5, PbU2S5, BaTh2S5, and BaU2Te5.
Inorganic chemistry, 2014, 53, 11626-11632
4343797 CIFC4 H0.4 F0.8 N4 Pt Rb2I 4/m c m12.689; 12.689; 5.595
90; 90; 90
900.855Schultz, A.J.; Coffey, C.C.; Williams, J.M.; Lee, G.C.
Structural studies of precursor and partially oxidized conducting salts.12.Crystal structure of Rb2 (Pt (C N)4) (FHF)0.40. A new lower limit for the platinum-platinum separation and the first anhydrous one-dimensional tetracyano...
Inorganic Chemistry, 1977, 16, 2129-2130
4344935 CIFC4 N4 Ni W0.5I 4/m c m10.9485; 10.9485; 12.7277
90; 90; 90
1525.7Reczyński, Mateusz; Chorazy, Szymon; Nowicka, Beata; Sieklucka, Barbara; Ohkoshi, Shin-Ichi
Dehydration of Octacyanido-Bridged Ni(II)-W(IV) Framework toward Negative Thermal Expansion and Magneto-Colorimetric Switching.
Inorganic chemistry, 2016
4345023 CIFAs2 H4 O9 VI 4/m c m9.1305; 9.1305; 8.1318
90; 90; 90
677.92Aranda, Miguel A. G.; Attfield, J. Paul; Bruque, Sebastian; Martinez-Lara, Maria
Order and disorder of vanadyl chains: crystal structures of Vanadyl difydrogen arsenate (VO(H2AsO4)2) and the lithium derivative Li4VO(AsO4)2
Inorganic Chemistry, 1992, 31, 1045-1049
4346540 CIFC18 H28 Mn N10I 4/m c m11.5684; 11.5684; 17.65
90; 90; 90
2362.06Bermúdez-García, Juan M; Sánchez-Andújar, Manuel; Yáñez-Vilar, Susana; Castro-García, Socorro; Artiaga, Ramón; López-Beceiro, Jorge; Botana, Luis; Alegría, Ángel; Señarís-Rodríguez, María A
Role of Temperature and Pressure on the Multisensitive Multiferroic Dicyanamide Framework [TPrA][Mn(dca)3] with Perovskite-like Structure.
Inorganic chemistry, 2015, 54, 11680-11687
4348961 CIFC34 H26 Fe N8I 4/m c m12.34; 12.34; 22.852
90; 90; 90
3479.8Zhang, Xuan; Saber, Mohamed R.; Prosvirin, Andrey P.; Reibenspies, Joseph H.; Sun, Lei; Ballesteros-Rivas, Maria; Zhao, Hanhua; Dunbar, Kim R.
Magnetic ordering in TCNQ-based metal‒organic frameworks with host‒guest interactions
Inorganic Chemistry Frontiers, 2015, 2, 904
4348962 CIFC42 H32 Fe N6I 4/m c m12.358; 12.358; 22.9288
90; 90; 90
3501.7Zhang, Xuan; Saber, Mohamed R.; Prosvirin, Andrey P.; Reibenspies, Joseph H.; Sun, Lei; Ballesteros-Rivas, Maria; Zhao, Hanhua; Dunbar, Kim R.
Magnetic ordering in TCNQ-based metal‒organic frameworks with host‒guest interactions
Inorganic Chemistry Frontiers, 2015, 2, 904
4348963 CIFC36 H28 Fe N6I 4/m c m12.3673; 12.3673; 22.9031
90; 90; 90
3503.03Zhang, Xuan; Saber, Mohamed R.; Prosvirin, Andrey P.; Reibenspies, Joseph H.; Sun, Lei; Ballesteros-Rivas, Maria; Zhao, Hanhua; Dunbar, Kim R.
Magnetic ordering in TCNQ-based metal‒organic frameworks with host‒guest interactions
Inorganic Chemistry Frontiers, 2015, 2, 904
4349867 CIFC50 H26 Cu3 O15I 4/m c m31.3382; 31.3382; 39.0786
90; 90; 90
38378Wang, Yutong; Fan, Weidong; Wang, Xia; Han, Yinfeng; Zhang, Liangliang; Liu, Di; Dai, Fangna; Sun, Daofeng
Solvent-induced framework-interpenetration isomers of Cu MOFs for efficient light hydrocarbon separation
Inorganic Chemistry Frontiers, 2018, 5, 2408
4502888 CIFC21 H12 N O5 ZnI 4/m c m15.439; 15.439; 28.034
90; 90; 90
6682Gao, Qian; Xie, Ya-Bo; Li, Jian-Rong; Yuan, Da-Qiang; Yakovenko, Audrey A.; Sun, Ji-Hong; Zhou, Hong-Cai
Tuning the Formations of Metal‒Organic Frameworks by Modification of Ratio of Reactant, Acidity of Reaction System, and Use of a Secondary Ligand
Crystal Growth & Design, 2012, 12, 281
4503758 CIFC8 H14 Cl Mn2 Mo N8 O7I 4/m c m11.9508; 11.9508; 13.296
90; 90; 90
1899Ma, Shu-Lin; Ma, Yue; Ren, Shi; Yan, Shi-Ping; Cheng, Peng; Wang, Qing-Lun; Liao, Dai-Zheng
A New Bimetallic Ferrimagnet ([Mn2II(H2O)2(CH3COO)][MoV(CN)8]·2H2O)nand Its Antiferromagnetic Analogue ([Mn2II(H2O)3Cl][MoV(CN)8]·4H2O)n
Crystal Growth & Design, 2008, 8, 3761
4503759 CIFC10 H11 Mn2 Mo N8 O6I 4/m c m11.9168; 11.9168; 13.205
90; 90; 90
1875.2Ma, Shu-Lin; Ma, Yue; Ren, Shi; Yan, Shi-Ping; Cheng, Peng; Wang, Qing-Lun; Liao, Dai-Zheng
A New Bimetallic Ferrimagnet ([Mn2II(H2O)2(CH3COO)][MoV(CN)8]·2H2O)nand Its Antiferromagnetic Analogue ([Mn2II(H2O)3Cl][MoV(CN)8]·4H2O)n
Crystal Growth & Design, 2008, 8, 3761
4508541 CIFC5 H9 F6 N2 PI 4/m c m8.5772; 8.5772; 25.7819
90; 90; 90
1896.73Endo, Takatsugu; Masu, Hyuma; Fujii, Kozo; Morita, Takeshi; Seki, Hiroko; Sen, Sabyasachi; Nishikawa, Keiko
Determination of Missing Crystal Structures in the 1-Alkyl-3-methylimidazolium Hexafluorophosphate Series: Implications on Structure‒Property Relationships
Crystal Growth & Design, 2013, 13, 5383
4512482 CIFLi0.19 N0.2 O2.8 Sr Ta0.81I 4/m c m5.67388; 5.67388; 8.0431
90; 90; 90
258.93Kim, Young-Il; Paik, Younkee; Avdeev, Maxim
Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study
Crystal Growth & Design, 2015, 15, 53

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