Crystallography Open Database

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1001397 CIFBa La O6 Ru ZnI 1 2/c 15.6479; 5.6672; 7.9859
90; 90.1; 90
255.6Battle, P D; Gibb, T C; Jones, C W; Studer, F
Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~
Journal of Solid State Chemistry, 1989, 78, 281-293
1001398 CIFBa La O6 Ru ZnI 1 2/c 15.6364; 5.6621; 7.9686
90; 90.077; 90
254.3Battle, P D; Gibb, T C; Jones, C W; Studer, F
Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~
Journal of Solid State Chemistry, 1989, 78, 281-293
1001399 CIFFe O6 Ru Sr2I 1 2/c 15.5379; 5.5429; 7.8772
90; 90.11; 90
241.8Battle, P D; Gibb, T C; Jones, C W; Studer, F
Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~
Journal of Solid State Chemistry, 1989, 78, 281-293
1001400 CIFFe O6 Ru Sr2I 1 2/c 15.5092; 5.5138; 7.8752
90; 90.13; 90
239.2Battle, P D; Gibb, T C; Jones, C W; Studer, F
Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~
Journal of Solid State Chemistry, 1989, 78, 281-293
1001401 CIFBa La Ni O6 RuI 1 2/c 15.6093; 5.6154; 7.9571
90; 90.16; 90
250.6Battle, P D; Gibb, T C; Jones, C W; Studer, F
Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~
Journal of Solid State Chemistry, 1989, 78, 281-293
1509689 CIFAg2 O2 PbI 1 2/c 16.082; 8.715; 6.556
90; 93.69; 90
346.778Evers, L.; Bystroem, A.
The crystal structures of Ag2 Pb O2 and Ag5 Pb2 O6
Acta Chemica Scandinavica (1-27,1973-42,1988), 1950, 4, 613-627
1509690 CIFAg2 O2 PbI 1 2/c 16.0775; 8.704; 6.553
90; 93.545; 90
345.981Jansen, M.; Bortz, M.
Ag2 Pb O2, Optimierung der Kristallzuechtung und Verfeinerung der Kristallstruktur
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1989, 579, 123-128
1510914 CIFB3 Gd O6I 1 2/c 16.28; 8.02; 7.8
90; 93; 90
392.313Dzhafarov, G.G.; Mamedov, Kh.S.; Abdullaev, G.K.
Crystal structure of the metaborates Sm (B O2)3 and Gd (B O2)3
Kristallografiya, 1975, 20, 265-269
1510941 CIFB3 Nd O6I 1 2/c 16.4; 8.08; 8.03
90; 94; 90
414.236Sil'nitskaya, G.B.; Medvedev, A.V.; Pakhomov, V.I.; Dzhurinskii, B.F.
The crystal structure of neodymium metaborate
Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1972, 8, 1259-1263
1510947 CIFB3 O6 SmI 1 2/c 16.33; 8.06; 7.85
90; 93; 90
399.957Mamedov, Kh.S.; Dzhafarov, G.G.; Abdullaev, G.K.
Crystal structures of the metaborates Sm (B O2)3 and Gd (B O2)3
Kristallografiya, 1975, 20, 265-269
1517830 CIFC15 H12 Br N3I 1 2/c 17.3641; 5.6583; 31.688
90; 93.358; 90
1318.12Cai, Zhong-Jian; Lu, Xin-Mou; Zi, You; Yang, Chao; Shen, Ling-Jie; Li, Jian; Wang, Shun-Yi; Ji, Shun-Jun
I2/TBPB Mediated Oxidative Reaction of N-Tosylhydrazones with Anilines: Practical Construction of 1,4-Disubstituted 1,2,3-Triazoles under Metal-Free and Azide-Free Conditions.
Organic letters, 2014, 16, 5108-5111
1518419 CIFC25 H22 N2 OI 1 2/c 117.688; 10.0067; 21.9732
90; 100.303; 90
3826.5Yang, Xiu-Long; Chen, Fei; Zhou, Neng-Neng; Yu, Wei; Han, Bing
Synthesis of isoxazoline-functionalized phenanthridines via iminoxyl radical-participated cascade sequence.
Organic letters, 2014, 16, 6476-6479
1518541 CIFC36 H66 N4 O16 S4I 1 2/c 119.4827; 7.7013; 30.1416
90; 101.758; 90
4427.61Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail
Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water
Chem. Sci., 2015, 6, 2079
1520930 CIFC7 H10 Cu N6 NiI 1 2/c 116.815; 9.606; 21.252
90; 91.72; 90
3431.18Cernak, J.; Lipkowski, J.
Two polymorphs of Cu (tn) Ni (C N)4 containing tetracyanonickellate anions with triple bridging function: preparation and crystallographic characterization
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 1999, 130, 1195-1206
1524371 CIFCa Nb2 O8 ThI 1 2/c 15.446; 11.207; 5.137
90; 94.7; 90
312.474Fonteneau, G.; l'Helgoualch, H.; Lucas, J.
Les niobates Ca U Nb2 O8 et M Th Nb2 O8 (M= Ca, Sr, Cd). Etudes des transformations monoclinique - quadratique
Materials Research Bulletin, 1977, 12, 25-34
1525401 CIFLa Nb O4I 1 2/c 15.5735; 11.5418; 5.2159
90; 94.07; 90
334.683Tsunekawa, S.; Takei, H.
Twinning structure of ferroelastic La Nb O4 and Nd Nb O4 crystals
Physica Status Solidi, Sectio A: Applied Research, 1978, 50, 695-702
1525402 CIFNb Nd O4I 1 2/c 15.4753; 11.2905; 5.1493
90; 94.578; 90
317.308Tsunekawa, S.; Takei, H.
Twinning structure of ferroelastic La Nb O4 and Nd Nb O4 crystals
Physica Status Solidi, Sectio A: Applied Research, 1978, 50, 695-702
1528708 CIFEu K O8 W2I 1 2/c 18.1146; 10.4496; 7.5963
90; 94.349; 90
642.268Macalik, L.; Tomaszewski, P.E.; Lisiecki, R.; Hanuza, J.
The crystal structure, vibrational and luminescence properties of the nanocrystalline K Eu (W O4)2 and K Gd (W O4)2:Eu(3+) obtained by the Pechini method
Journal of Solid State Chemistry, 2008, 181, 2591-2600
1528830 CIFO7 P2 Zn2I 1 2/c 120.068; 8.259; 9.099
90; 106.35; 90
1447.1Robertson, B.E.; Calvo, C.
Crystal structure of alpha Zn2 P2 O7
Journal of Solid State Chemistry, 1970, 1, 120-133
1528967 CIFLa Nb O4I 1 2/c 15.5626; 11.519; 5.2013
90; 94.06; 90
332.44Vullum, F.; Nitsche, F.; Grande, T.; Selbach, S.M.
Solid solubility and phase transitions in the system La Nb(1-x) Ta(x) O4
Journal of Solid State Chemistry, 2008, 181, 2580-2585
1528969 CIFF Mn2 O4 PI 1 2/c 112.065; 6.454; 9.937
90; 107.09; 90
739.603Waldrop, L.
Crystal structure of triplite
Naturwissenschaften, 1968, 55, 178-178
1529511 CIFB3 La O6I 1 2/c 16.509; 8.172; 7.983
90; 93.43; 90
423.867Abdullaev, G.K.; Mamedov, Kh.S.; Dzhafarov, G.G.
The refined crystal structure of lanthanum metaborate La (B O2)3
Kristallografiya, 1981, 26, 837-840
1530378 CIFCu6 Mo5 O18I 1 2/c 114.676; 6.28; 15.254
90; 101.78; 90
1376.28McCarron, E.M.; Calabrese, J.C.
Hydrothermal synthesis and structure of (Cu(+))6 (Mo(6+))5 O18
Journal of Solid State Chemistry, 1986, 62, 64-74
1530601 CIFNd2 O6 WI 1 2/c 115.92; 11.39; 5.508
90; 92; 90
998.151Polyanskaya, T.M.; Borisov, S.V.; Belov, N.V.
A new form of the Scheelite structural type: crystal structure of Nd2 W O6
Doklady Akademii Nauk SSSR, 1970, 193, 83-86
1535665 CIFAl2 Cl8 TiI 1 2/c 112.987; 7.708; 11.772
90; 92.58; 90
1177.23Troyanov, S.I.
Crystal structure of titanium(II) chloroaluminates Ti(AlCl4)2 and refinement of AlCl3 crystal structure.
Zhurnal Neorganicheskoi Khimii, 1992, 37, 266-272
1542037 CIFBa Cl2 H2 O7I 1 2/c 18.916; 7.832; 9.425
90; 93.65; 90
656.814Sikka, S.K.; Momin, S.N.; Rajagopal, H.; Chidambaram, R.
Neutron-diffraction Refinement of the Crystal Structure of Barium Chlorate Monohydrate Ba (Cl O3)2 H2 O
Journal of Chemical Physics, 1968, 48, 1883-1890
1545629 CIFCa F5 TiI 1 2/c 19.08; 6.614; 7.696
90; 115.16; 90
418.3Eicher, S. M.; Greedan, J. E.
Crystal structures and magnetic properties of BaTiF5 and CaTiF5
Journal of Solid State Chemistry, 1984, 52, 12-21
1548244 CIFC44 H28 N2 O12 TbI 1 2/c 114.9948; 15.5788; 35.0105
90; 94.405; 90
8154.3Wang, Jun; Zhang, Qiang-Sheng; Dou, Wei; Kirillov, Alexander M.; Liu, Wei-Sheng; Xu, Cong; Xu, Cai-Ling; Fang, Ran; Yang, Li-Zi
Novel double layer lanthanide metal-organic networks for sensing applications.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 465-474
1548245 CIFC44 H28 Eu N2 O12I 1 2/c 115.0374; 15.5766; 35.0554
90; 94.951; 90
8180.4Wang, Jun; Zhang, Qiang-Sheng; Dou, Wei; Kirillov, Alexander M.; Liu, Wei-Sheng; Xu, Cong; Xu, Cai-Ling; Fang, Ran; Yang, Li-Zi
Novel double layer lanthanide metal-organic networks for sensing applications.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 465-474
1553414 CIFC28 H20 OI 1 2/c 121.71; 8.16; 24.855
90; 113.396; 90
4041Nie, Han; Hu, Kun; Cai, Yuanjing; Peng, Qian; Zhao, Zujin; Hu, Rongrong; Chen, Junwu; Su, Shi-Jian; Qin, Anjun; Tang, Ben Zhong
Tetraphenylfuran: aggregation-induced emission or aggregation-caused quenching?
Materials Chemistry Frontiers, 2017, 1, 1125
1555074 CIFC22 H15 Cl2 F3I 1 2/c 121.8668; 10.36934; 18.0539
90; 113.947; 90
3741.25Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.
TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes
Organic Chemistry Frontiers, 2019, 6, 3264
1556746 CIFC20 H28 S3 Si2I 1 2/c 134.443; 6.7415; 10.1978
90; 96.889; 90
2350.8Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes
Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.
IUCrJ, 2015, 2, 584-600
1556953 CIF
HKL
Paper
C24 H16 Cl4I 1 2/c 113.7822; 10.7752; 27.0787
90; 99.901; 90
3961.5Detert, Heiner; Schollmeyer, Dieter
5,8,13,13-Tetrachloro-13<i>H</i>-dibenzo[<i>a</i>,<i>i</i>]fluorene cyclohexane hemisolvate
IUCrData, 2019, 4, x190236
1558107 CIFBi O4 SbI 1 2/c 15.4518; 4.8784; 11.825
90; 101.11; 90
308.6Enjalbert, Renee; Sorokina, Svetlana; Castro, Alicia; Galy, Jean
Comparison of Bismuth Stereochemistry in [BiO2]n and [Bi2O2]n Layers. Refinement of BiSbO4
Acta Chemica Scandinavica, 1995, 49, 813-819
1561828 CIFC24 H17 Br4 Co N4 O5I 1 2/c 120.4029; 17.331; 38.6793
90; 91.038; 90
13674.9Zhang, Xiaowei; Xing, Peiqi; Geng, Xiujuan; Sun, Daofeng; Xiao, Zhenyu; Wang, Lei
Transition metal coordination polymers based on tetrabromoterephthalic and bis(imidazole) ligands: Syntheses, structures, topological analysis and photoluminescence properties
Journal of Solid State Chemistry, 2015, 229, 49-61
1562414 CIFC17 H15 N O4 S3I 1 2/c 119.992; 12.091; 30.161
90; 96.166; 90
7248Fucci, Rosa; Vande Velde, Christophe M. L.
Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs.
Faraday discussions, 2021, 231, 97-111
1563855 CIF
HKL
C48 H58 Br Cu2 N10 O14 TbI 1 2/c 118.92; 15.464; 19.388
90; 101.707; 90
5554.5Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang
Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties
Inorganica Chimica Acta, 2018, 483, 299-304
1564664 CIFC36 H52 N8 O4 PuI 1 2/c 117.55; 10.078; 21.29
90; 98.496; 90
3724.2Su, Jing; Cheisson, Thibault; McSkimming, Alex; Goodwin, Conrad A. P.; DiMucci, Ida M.; Albrecht-Schönzart, Thomas; Scott, Brian L.; Batista, Enrique R.; Gaunt, Andrew J.; Kozimor, Stosh A.; Yang, Ping; Schelter, Eric J.
Complexation and redox chemistry of neptunium, plutonium and americium with a hydroxylaminato ligand
Chemical Science, 2021
2000318 CIF
Paper
C3 H11 Cl2 N2 O P PtI 1 2/c 117.696; 7.175; 17.155
90; 117.15; 90
1938.2Macíček, J.; Angelova, O.; Dodoff, N.
Structure of <i>cis</i>-dichloro[methylphosphinylidenebis(methylamine-<i>N</i>,<i>N</i>')]platinum(II) hemihydrate
Acta Crystallographica Section C, 1991, 47, 971-973
2001214 CIF
Paper
C38 H24 Au2 O12 P2 Ru4I 1 2/c 133.673; 12.275; 23.057
90; 97.828; 90
9441Adatia, T.
Structure of the heteronuclear cluster [Au~2~Ru~4~(μ~3~-H)(μ-H)(μ-Ph~2~PC=CHPPh~2~)(CO)~12~]
Acta Crystallographica Section C, 1993, 49, 1926-1929
2002089 CIF
Paper
C55 H61 Cl2 F12 N O2 P6 Ru2I 1 2/c 128.325; 9.79; 23.042
90; 105.999; 90
6142Blake, A. J.; Fotheringham, J. D.; Stephenson, T. A.
[{(η^6^-C~6~H~6~)(PMe~2~Ph)RuCl}~2~(μ-Ph~2~PCH~2~CH~2~PPh~2~)]^2+^.2PF~6~^{-^}.CH~3~NO~2~
Acta Crystallographica Section C, 1993, 49, 142-144
2006295 CIF
Paper
C25 H24 O2I 1 2/c 115.46; 10.128; 12.68
90; 101.67; 90
1944.4Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng
1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives
Acta Crystallographica Section C, 1997, 53, 956-959
2006540 CIF
Paper
C30 H30 Cl2 Co N8 O2I 1 2/c 117.977; 11.819; 14.696
90; 90.775; 90
3122Cheng, K.-L.; Sheu, S.-C.; Lee, G.-H.; Lin, Y-C.; Wang, Y.; Ho, T.-I.
[6,6'-Bis(benzimidazol-2-yl-<i>N</i>^3^)-2,2'-bipyridine]dichlorocobalt(II)‒Dimethylformamide (1/2)
Acta Crystallographica Section C, 1997, 53, 1238-1240
2006997 CIF
Paper
C7 H15 N5 Ni S2I 1 2/c 115.476; 6.649; 24.08
90; 93.42; 90
2473.4Nirmalya P. Nayak; Alok K. Mukherjee; Arunendu Mondal; Nirmalendu Ray Chaudhuri
A Polymeric Nickel(II) Thiocyanate Complex of <i>N</i>-(2-Aminoethyl)-<i>N</i>-methyl-1,2-ethanediamine
Acta Crystallographica Section C, 1998, 54, 208-210
2007871 CIF
Paper
C H4.65 Al0.35 Co0.65 N O4 PI 1 2/c 19.925; 9.472; 10.347
90; 91.26; 90
972.5Gainsford, Graeme J.; Morgan, Keith R.; Rae, A. David
A Cobalt Aluminophosphate with Encapsulated Ethylenediamine: Co~0.65~Al~0.35~PO~4~.0.5NH~2.65~CH~2~CH~2~NH~2.65~
Acta Crystallographica Section C, 1998, 54, 1564-1566
2013456 CIF
HKL
Paper
C13 H9 N OI 1 2/c 112.027; 10.706; 31.76
90; 102.11; 90
3998Howie, R. Alan; Jabbar, Abdul; Lewis, John R.; Nizami, Shaikh S.; Ritchie, Craig F.
2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol and 3-phenyl-2,1-benzoxazole
Acta Crystallographica Section C, 2003, 59, o516-o519
2013865 CIF
HKL
Paper
C7 H8 N2 O4 SI 1 2/c 115.8657; 7.2366; 16.4224
90; 110.304; 90
1768.36Howie, R. Alan; Low, John N.; Wardell, James L.; Glidewell, Christopher
Hydrogen bonding in C-substituted nitroanilines: a chain of <i>R</i>f̱{_3^3}(12) rings in 2-methanesulfonyl-4-nitroaniline
Acta Crystallographica Section C, 2004, 60, o84-o86
2014963 CIF
HKL
Paper
Ba0.185 La0.815 Mn O3I 1 2/c 15.564; 5.51; 7.802
90; 90.18; 90
239.19Nicola Rotiroti; Rafael Tamazyan; Sander van Smaalen; Ya. Mukovskii
Monoclinic La~1{-~<i>x</i>}Ba~<i>x~</i>MnO~3~ (<i>x</i> = 0.185) at 160 K
Acta Crystallographica Section C, 2005, 61, i83-i85
2020356 CIFBa Br2 H2 O7I 1 2/c 19.0696; 7.8952; 9.6295
90; 93.26; 90
688.417Templeton, L.K.; Templeton, D.H.
Structure of barium bromate monohydrate
Acta Crystallographica C (39,1983-), 1989, 45, 672-673
2100551 CIF
HKL
Paper
Cr2 O7 P2I 1 2/c 121.1392; 8.4073; 9.2788
90; 108.708; 90
1561.93Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert
The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate
Acta Crystallographica Section B, 2006, 62, 556-566

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