Crystallography Open Database
Search results
Result: there are 214 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching space group like 'I 1 2/c 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1001397 | CIF | Ba La O6 Ru Zn | I 1 2/c 1 | 5.6479; 5.6672; 7.9859 90; 90.1; 90 | 255.6 | Battle, 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 | CIF | Ba La O6 Ru Zn | I 1 2/c 1 | 5.6364; 5.6621; 7.9686 90; 90.077; 90 | 254.3 | Battle, 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 | CIF | Fe O6 Ru Sr2 | I 1 2/c 1 | 5.5379; 5.5429; 7.8772 90; 90.11; 90 | 241.8 | Battle, 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 | CIF | Fe O6 Ru Sr2 | I 1 2/c 1 | 5.5092; 5.5138; 7.8752 90; 90.13; 90 | 239.2 | Battle, 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 | CIF | Ba La Ni O6 Ru | I 1 2/c 1 | 5.6093; 5.6154; 7.9571 90; 90.16; 90 | 250.6 | Battle, 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 | CIF | Ag2 O2 Pb | I 1 2/c 1 | 6.082; 8.715; 6.556 90; 93.69; 90 | 346.778 | Evers, 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 | CIF | Ag2 O2 Pb | I 1 2/c 1 | 6.0775; 8.704; 6.553 90; 93.545; 90 | 345.981 | Jansen, M.; Bortz, M. Ag2 Pb O2, Optimierung der Kristallzuechtung und Verfeinerung der Kristallstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie, 1989, 579, 123-128 |
| 1510914 | CIF | B3 Gd O6 | I 1 2/c 1 | 6.28; 8.02; 7.8 90; 93; 90 | 392.313 | Dzhafarov, 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 | CIF | B3 Nd O6 | I 1 2/c 1 | 6.4; 8.08; 8.03 90; 94; 90 | 414.236 | Sil'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 | CIF | B3 O6 Sm | I 1 2/c 1 | 6.33; 8.06; 7.85 90; 93; 90 | 399.957 | Mamedov, 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 | CIF | C15 H12 Br N3 | I 1 2/c 1 | 7.3641; 5.6583; 31.688 90; 93.358; 90 | 1318.12 | Cai, 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 | CIF | C25 H22 N2 O | I 1 2/c 1 | 17.688; 10.0067; 21.9732 90; 100.303; 90 | 3826.5 | Yang, 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 | CIF | C36 H66 N4 O16 S4 | I 1 2/c 1 | 19.4827; 7.7013; 30.1416 90; 101.758; 90 | 4427.61 | Dumitrescu, 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 | CIF | C7 H10 Cu N6 Ni | I 1 2/c 1 | 16.815; 9.606; 21.252 90; 91.72; 90 | 3431.18 | Cernak, 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 | CIF | Ca Nb2 O8 Th | I 1 2/c 1 | 5.446; 11.207; 5.137 90; 94.7; 90 | 312.474 | Fonteneau, 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 | CIF | La Nb O4 | I 1 2/c 1 | 5.5735; 11.5418; 5.2159 90; 94.07; 90 | 334.683 | Tsunekawa, 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 | CIF | Nb Nd O4 | I 1 2/c 1 | 5.4753; 11.2905; 5.1493 90; 94.578; 90 | 317.308 | Tsunekawa, 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 | CIF | Eu K O8 W2 | I 1 2/c 1 | 8.1146; 10.4496; 7.5963 90; 94.349; 90 | 642.268 | Macalik, 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 | CIF | O7 P2 Zn2 | I 1 2/c 1 | 20.068; 8.259; 9.099 90; 106.35; 90 | 1447.1 | Robertson, B.E.; Calvo, C. Crystal structure of alpha Zn2 P2 O7 Journal of Solid State Chemistry, 1970, 1, 120-133 |
| 1528967 | CIF | La Nb O4 | I 1 2/c 1 | 5.5626; 11.519; 5.2013 90; 94.06; 90 | 332.44 | Vullum, 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 | CIF | F Mn2 O4 P | I 1 2/c 1 | 12.065; 6.454; 9.937 90; 107.09; 90 | 739.603 | Waldrop, L. Crystal structure of triplite Naturwissenschaften, 1968, 55, 178-178 |
| 1529511 | CIF | B3 La O6 | I 1 2/c 1 | 6.509; 8.172; 7.983 90; 93.43; 90 | 423.867 | Abdullaev, 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 | CIF | Cu6 Mo5 O18 | I 1 2/c 1 | 14.676; 6.28; 15.254 90; 101.78; 90 | 1376.28 | McCarron, 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 | CIF | Nd2 O6 W | I 1 2/c 1 | 15.92; 11.39; 5.508 90; 92; 90 | 998.151 | Polyanskaya, 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 | CIF | Al2 Cl8 Ti | I 1 2/c 1 | 12.987; 7.708; 11.772 90; 92.58; 90 | 1177.23 | Troyanov, 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 | CIF | Ba Cl2 H2 O7 | I 1 2/c 1 | 8.916; 7.832; 9.425 90; 93.65; 90 | 656.814 | Sikka, 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 | CIF | Ca F5 Ti | I 1 2/c 1 | 9.08; 6.614; 7.696 90; 115.16; 90 | 418.3 | Eicher, S. M.; Greedan, J. E. Crystal structures and magnetic properties of BaTiF5 and CaTiF5 Journal of Solid State Chemistry, 1984, 52, 12-21 |
| 1548244 | CIF | C44 H28 N2 O12 Tb | I 1 2/c 1 | 14.9948; 15.5788; 35.0105 90; 94.405; 90 | 8154.3 | Wang, 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 | CIF | C44 H28 Eu N2 O12 | I 1 2/c 1 | 15.0374; 15.5766; 35.0554 90; 94.951; 90 | 8180.4 | Wang, 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 | CIF | C28 H20 O | I 1 2/c 1 | 21.71; 8.16; 24.855 90; 113.396; 90 | 4041 | Nie, 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 | CIF | C22 H15 Cl2 F3 | I 1 2/c 1 | 21.8668; 10.36934; 18.0539 90; 113.947; 90 | 3741.25 | Zerov, 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 | CIF | C20 H28 S3 Si2 | I 1 2/c 1 | 34.443; 6.7415; 10.1978 90; 96.889; 90 | 2350.8 | Lumpi, 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 Cl4 | I 1 2/c 1 | 13.7822; 10.7752; 27.0787 90; 99.901; 90 | 3961.5 | Detert, 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 | CIF | Bi O4 Sb | I 1 2/c 1 | 5.4518; 4.8784; 11.825 90; 101.11; 90 | 308.6 | Enjalbert, 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 | CIF | C24 H17 Br4 Co N4 O5 | I 1 2/c 1 | 20.4029; 17.331; 38.6793 90; 91.038; 90 | 13674.9 | Zhang, 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 | CIF | C17 H15 N O4 S3 | I 1 2/c 1 | 19.992; 12.091; 30.161 90; 96.166; 90 | 7248 | Fucci, 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 Tb | I 1 2/c 1 | 18.92; 15.464; 19.388 90; 101.707; 90 | 5554.5 | Xiong, 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 | CIF | C36 H52 N8 O4 Pu | I 1 2/c 1 | 17.55; 10.078; 21.29 90; 98.496; 90 | 3724.2 | Su, 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 Pt | I 1 2/c 1 | 17.696; 7.175; 17.155 90; 117.15; 90 | 1938.2 | Macíček, 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 Ru4 | I 1 2/c 1 | 33.673; 12.275; 23.057 90; 97.828; 90 | 9441 | Adatia, 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 Ru2 | I 1 2/c 1 | 28.325; 9.79; 23.042 90; 105.999; 90 | 6142 | Blake, 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 O2 | I 1 2/c 1 | 15.46; 10.128; 12.68 90; 101.67; 90 | 1944.4 | Ching-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 O2 | I 1 2/c 1 | 17.977; 11.819; 14.696 90; 90.775; 90 | 3122 | Cheng, 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 S2 | I 1 2/c 1 | 15.476; 6.649; 24.08 90; 93.42; 90 | 2473.4 | Nirmalya 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 P | I 1 2/c 1 | 9.925; 9.472; 10.347 90; 91.26; 90 | 972.5 | Gainsford, 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 O | I 1 2/c 1 | 12.027; 10.706; 31.76 90; 102.11; 90 | 3998 | Howie, 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 S | I 1 2/c 1 | 15.8657; 7.2366; 16.4224 90; 110.304; 90 | 1768.36 | Howie, 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 O3 | I 1 2/c 1 | 5.564; 5.51; 7.802 90; 90.18; 90 | 239.19 | Nicola 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 | CIF | Ba Br2 H2 O7 | I 1 2/c 1 | 9.0696; 7.8952; 9.6295 90; 93.26; 90 | 688.417 | Templeton, 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 P2 | I 1 2/c 1 | 21.1392; 8.4073; 9.2788 90; 108.708; 90 | 1561.93 | Palatinus, 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 |
| 2100756 | CIF Paper | Ba H2 I2 O7 | I 1 2/c 1 | 9.048; 7.987; 9.911 90; 92.13; 90 | 715.7 | Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I. Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K Acta Crystallographica Section B, 1992, 48, 166-172 |
| 2100757 | CIF Paper | Ba H2 I2 O7 | I 1 2/c 1 | 9.022; 7.937; 9.867 90; 92.18; 90 | 706 | Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I. Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K Acta Crystallographica Section B, 1992, 48, 166-172 |
| 2100758 | CIF Paper | Cl2 H2 O7 Pb | I 1 2/c 1 | 8.811; 7.744; 9.131 90; 93.13; 90 | 622.1 | Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I. Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K Acta Crystallographica Section B, 1992, 48, 166-172 |
| 2100759 | CIF Paper | Cl2 H2 O7 Pb | I 1 2/c 1 | 8.811; 7.744; 9.131 90; 93.13; 90 | 622.1 | Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I. Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K Acta Crystallographica Section B, 1992, 48, 166-172 |
| 2100760 | CIF Paper | Cl2 H2 O7 Pb | I 1 2/c 1 | 8.755; 7.697; 9.13 90; 93.45; 90 | 614.13 | Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I. Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K Acta Crystallographica Section B, 1992, 48, 166-172 |
| 2100958 | CIF Paper | C12 H19 N5 O | I 1 2/c 1 | 15.57; 10.39; 17.383 90; 99.38; 90 | 2774.5 | Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S. Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine Acta Crystallographica Section B, 1993, 49, 547-559 |
| 2100960 | CIF Paper | C13 H19 N5 O | I 1 2/c 1 | 23.78; 9.162; 28.144 90; 111.47; 90 | 5706.3 | Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S. Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine Acta Crystallographica Section B, 1993, 49, 547-559 |
| 2100980 | CIF Paper | C42 H60 N12 O12 S2 | I 1 2/c 1 | 16.304; 20.321; 15.939 90; 102.25; 90 | 5161 | Caira, M. R.; Mohamed, R. Stabilizing role of included solvent in ternary complexation: synthesis, structures and thermal analyses of three 18-crown-6/sulfonamide/acetonitrile inclusion compounds Acta Crystallographica Section B, 1993, 49, 760-768 |
| 2101357 | CIF Paper | C13 H8 Cl2 O | I 1 2/c 1 | 24.62; 6.091; 7.476 90; 100.14; 90 | 1103.6 | Zúñiga, F. J.; Criado, A. Structure at 140 K, lattice dynamics and phase transition of 4,4'-dichlorobenzophenone Acta Crystallographica Section B, 1995, 51, 880-888 |
| 2103122 | CIF Paper | C8 H14 O3 | I 1 2/c 1 | 22.876; 6.224; 11.793 90; 95.56; 90 | 1671.2 | Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Novel predicted patterns of supramolecular self-assembly afforded by tetrameric R~4~^4^(12) rings of C~2~ symmetry in the crystal structures of 2-hydroxy-1-cyclopentanecarboxylic acid, 2-hydroxy-1- cyclohexanecarboxylic acid and 2-hydroxy-1-cycloheptanecarboxylic acid. Acta Crystallographica, Section B, 2002, 58, 494-501 |
| 2104874 | CIF HKL Paper | As2 O7 Zn2 | I 1 2/c 1 | 20.5802; 8.436; 9.618 90; 106.564; 90 | 1600.53 | Weil, Matthias; Stöger, Berthold Crystal chemistry of transition metal diarsenates <i>M</i>~2~As~2~O~7~ (<i>M</i> = Mn, Co, Ni, Zn): variants of the thortveitite structure Acta Crystallographica Section B, 2010, 66, 603-614 |
| 2105590 | CIF Paper | C13 H8 Cl2 O | I 1 2/c 1 | 24.527; 6.064; 7.457 90; 100.1; 90 | 1091.9 | Mitkevich, V. V.; Lirtsman, V. G.; Strzhemechny, M. A.; Avdeenko, A. A.; Eremenko, V. V. Investigation of the structural phase transitions near 190K in 4,4'-dichlorobenzophenone Acta Crystallographica Section B, 1999, 55, 799-806 |
| 2106268 | CIF | Ga2 O8 Si2 Sr | I 1 2/c 1 | 8.481; 13.142; 14.444 90; 115.48; 90 | 1453.3 | Calleri, M.; Gazzoni, G. Structures of (Sr, Ba) ((Al, Ga)2 (Si, Ge)2 O8). I. The crystal structures of the synthetic feldspars Sr Ga2 Si2 O8 and Ba Ga2 Si2 O8 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 560-568 |
| 2106269 | CIF | Ba Ga2 O8 Si2 | I 1 2/c 1 | 8.727; 13.24; 14.608 90; 115; 90 | 1529.75 | Calleri, M.; Gazzoni, G. Structures of (Sr,Ba)((Al,Ga)2 (Si,Ge)2 O8). I. The crystal structures of the synthetic feldspars Sr Ga2 Si2 O8 and Ba Ga2 Si2 O8 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 560-568 |
| 2106270 | CIF | Al2 Ba Ge2 O8 | I 1 2/c 1 | 8.799; 13.371; 14.727 90; 114.93; 90 | 1571.21 | Calleri, M.; Gazzoni, G. The structures of (Sr, Ba) (Al, Ga)2 (Si, Ge)2 O8. V. The crystal structure of the synthetic feldspar Ba Al2 Ge2 O8 Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3275-3282 |
| 2106363 | CIF | Li Nd O12 P4 | I 1 2/c 1 | 9.844; 7.008; 13.25 90; 90.1; 90 | 914.073 | Koizumi, H. An efficient laser material, lithium neodymium phosphate Li Nd P4 O12 Acta Crystallographica B (24,1968-38,1982), 1976, 32, 266-268 |
| 2106371 | CIF | Ba Ga2 O8 Si2 | I 1 2/c 1 | 8.7262; 13.2117; 14.6001 90; 115.059; 90 | 1524.78 | Kroll, H.; Phillips, M.W.; Pentinghaus, H. The structures of the ordered sythetic feldspars Sr Ga2 Si2 O8 , Ba Ga2 Si2 O8 and Ba Ga2 Ge2 O8 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 359-365 |
| 2106372 | CIF | Ba Ga2 Ge2 O8 | I 1 2/c 1 | 8.8931; 13.5248; 14.9076 90; 114.803; 90 | 1627.65 | Kroll, H.; Pentinghaus, H.; Phillips, M.W. The structures of the ordered sythetic feldspars Sr Ga2 Si2 O8 , Ba Ga2 Si2 O8 and Ba Ga2 Ge2 O8 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 359-365 |
| 2106751 | CIF | H3 K3 N O11.5 S3 | I 1 2/c 1 | 25.5873; 6.7771; 13.9694 90; 92.08; 90 | 2420.8 | Brown, G.M.; Strydom, O.A.W. Tripotassium hydroxylaminetrisulfonate sesquihydrate, neutron data Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1591-1594 |
| 2107398 | CIF | Cl3 Cs H4 Na2 O2 | I 1 2/c 1 | 13.6235; 5.8322; 10.7053 90; 91.26; 90 | 850.384 | Evans, H.T.jr.; Konnert, J.A.; Chou, I.M.; Romankiw, L.A. A Crystal Chemical Study of the System Cs Cl - Na Cl - H2 O; Structures of the Cs Cl Derivative Compounds Cs1-x (Na H2 O)x Cl, Cs Na2 Cl3 (H2 O)2, and Cs2 Ca Cl4 (H2 O)2 Acta Crystallographica B (39,1983-), 1984, 40, 86-92 |
| 2201348 | CIF HKL Paper | C20 H22 O6 | I 1 2/c 1 | 12.2304; 16.4299; 17.8325 90; 93.999; 90 | 3574.61 | Stomberg, Rolf; Langer, Vratislav; Hauteville, Marcelle 1-(2-Hydroxy-4,6-dimethoxy-3-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1,3-propanedione Acta Crystallographica Section E, 2002, 58, o1116-o1118 |
| 2217755 | CIF HKL Paper | C10 H8 Cl N O3 | I 1 2/c 1 | 18.266; 7.36; 14.821 90; 92.855; 90 | 1990 | De, Amitabha 5'-Chlorospiro[1,3-dioxolane-2,3'-indolin]-2'-one: a potential anticonvulsant Acta Crystallographica Section E, 2008, 64, o562 |
| 2243858 | CIF HKL Paper | C12 H16 Cl4 Cu N2 | I 1 2/c 1 | 15.2354; 8.3683; 12.8372 90; 99.205; 90 | 1615.59 | Mehmood, Tahir; Bhosale, Rajesh S.; Reddy, J. Prakasha Bis(2-methylpyridinium) tetrachloridocuprate(II): synthesis, structure and Hirshfeld surface analysis Acta Crystallographica Section E, 2021, 77, 726-729 |
| 2243936 | CIF HKL | C24 H36 N4 O6 Si2 | I 1 2/c 1 | 12.9641; 16.8966; 13.1085 90; 101.198; 90 | 2816.7 | Böhme, Uwe; Schwarzer, Anke; Günther, Betty Formation of a macrocycle from dichlorodimethylsilane and a pyridoxalimine Schiff base ligand Acta Crystallographica Section E, 2021, 77 |
| 2300259 | CIF | Ca H4 O6 S | I 1 2/c 1 | 5.68021; 15.2139; 6.53032 90; 118.484; 90 | 496.03 | Henry, Paul F.; Weller, Mark T.; Wilson, Chick C. Neutron powder diffraction in materials with incoherent scattering: an illustration of Rietveld refinement quality from nondeuterated gypsum Journal of Applied Crystallography, 2009, 42, 1176-1188 |
| 2310552 | CIF | H20 Na4 O17 P2 | I 1 2/c 1 | 17.93; 6.96; 14.85 90; 118.52; 90 | 1628.29 | Cruickshank, D.W.J. Refinements of structures containing bonds between Si, P, S or Cl and O or N. Acta Crystallographica (1,1948-23,1967), 1964, 17, 672-673 |
| 2310787 | CIF | O7 P2 Zn2 | I 1 2/c 1 | 20.1131; 8.2769; 9.109 90; 106.338; 90 | 1455.2 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
| 2310875 | CIF | Ba Cl2 H2 O7 | I 1 2/c 1 | 8.86; 7.8; 9.35 90; 93.5; 90 | 644.955 | Kartha, G. Structure of barium chlorate monohydrate, Ba (Cl O3)2 H2 O Acta Crystallographica (1,1948-23,1967), 1952, 5, 845-846 |
| 2310920 | CIF | Al1.77 Ba0.8 K0.2 O8 Si2.23 | I 1 2/c 1 | 8.627; 13.045; 14.408 90; 115.22; 90 | 1466.9 | Newnham, R.E.; Megaw, H.D. The crystal structure of celsian (barium felspar) Acta Crystallographica (1,1948-23,1967), 1960, 13, 303-312 |
| 3000009 | CIF | C5 H10 N3 O4 P | I 1 2/c 1 | 16.0725; 7.7301; 14.6189 90; 96.8695; 90 | 1803.24 | Armel Le Bail; Lubomir Smrcok Ab initio structure determination of 3,4-diaminopyridin-1-ium dihydrogen phosphate Powder Diffraction, 2011, 26, 321 |
| 4034204 | CIF | C40 H0 F5 N2 O P S | I 1 2/c 1 | 22.3941; 13.4906; 22.8107 90; 113.221; 90 | 6333.1 | Kumar, Ankit; Thorat, Kishor G.; Sinha, Avisikta; Butcher, Ray J.; Ravikanth, Mangalampalli Meso-Fused Carbatriphyrins(2.1.1) and Its Organo Phosphorus(V) Complex. The Journal of organic chemistry, 2019, 84, 9067-9074 |
| 4035638 | CIF | C14 H11 N3 O | I 1 2/c 1 | 14.466; 7.833; 20.727 90; 98.549; 90 | 2322.5 | Castillo, Juan-Carlos; Tigreros, Alexis; Portilla, Jaime 3-Formylpyrazolo[1,5- a]pyrimidines as Key Intermediates for the Preparation of Functional Fluorophores. The Journal of organic chemistry, 2018, 83, 10887-10897 |
| 4038224 | CIF | C12 H13 Br2 N O4 | I 1 2/c 1 | 12.5491; 8.3129; 26.875 90; 102.001; 90 | 2742.3 | Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water. The Journal of organic chemistry, 2020 |
| 4038260 | CIF | C24 H18 N4 O4 | I 1 2/c 1 | 7.8057; 9.6433; 26.0047 90; 91.031; 90 | 1957.13 | Galenko, Ekaterina E.; Kryukova, Mariya A.; Novikov, Mikhail S.; Khlebnikov, Alexander F. Synthesis of Bi-, Ter-, and Quaterpyridinecarboxylates via Propargylisoxazole-Pyridine Rearrangement. The Journal of organic chemistry, 2020, 85, 6109-6122 |
| 4082050 | CIF | C30 H44 Cl2 N4 O10 | I 1 2/c 1 | 16.6444; 9.93793; 21.1486 90; 93.1009; 90 | 3493.09 | Ruiz-Botella, Sheila; Guisado-Barrios, Gregorio; Mata, José A.; Peris, Eduardo Coordination Singularities of a Bis(p-xylyl)bis(benzimidazolylidene) Ligand and the Bis-iridium and -rhodium-Related Complexes Organometallics, 2013, 32, 6613 |
| 4085227 | CIF | C29 H27 Cl3 F2 Ir N5 | I 1 2/c 1 | 21.13; 13.37; 21.589 90; 110.524; 90 | 5712 | Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H. Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity Organometallics, 2015, 34, 2326 |
| 4087158 | CIF | C14 H36 Fe O P2 Si2 | I 1 2/c 1 | 15.508; 9.75868; 15.9993 90; 117.934; 90 | 2139.19 | Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R. Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity Organometallics, 2017, 36, 605 |
| 4119058 | CIF | C55 H48 F3 N O4 P2 Pd S | I 1 2/c 1 | 28.679; 15.9767; 22.2674 90; 91.8471; 90 | 10197.5 | Yinjun Xie; Jianhua Hu; Yanyu Wang; Chungu Xia; Hanmin Huang Palladium-Catalyzed Vinylation of Aminals with Simple Alkenes: A New Strategy To Construct Allylamines Journal of the American Chemical Society, 2012, 134, 20613-20616 |
| 4125239 | CIF | C20 H12 F6 N4 | I 1 2/c 1 | 13.35; 10.0002; 27.9606 90; 98.304; 90 | 3693.68 | Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend. Journal of the American Chemical Society, 2016, 138, 12803-12812 |
| 4129108 | CIF | C50 H47 N5 | I 1 2/c 1 | 20.739; 12.7534; 32.675 90; 96.259; 90 | 8590.8 | Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin Singly and Doubly Neo-Confused Smaragdyrins. Journal of the American Chemical Society, 2019, 141, 18836-18844 |
| 4129269 | CIF | C46 H96 Fe2 N2 P8 | I 1 2/c 1 | 21.0545; 10.0187; 26.9455 90; 107.922; 90 | 5408 | Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent. Journal of the American Chemical Society, 2014, 136, 14560-14569 |
| 4341979 | CIF | C38.25 H42.25 N7.75 O16.75 Zn3 | I 1 2/c 1 | 21.7672; 19.633; 29.4028 90; 99.478; 90 | 12393.9 | Zhang, Shaowei; Ma, Jiangong; Zhang, Xiaoping; Duan, Eryue; Cheng, Peng Assembly of Metal-Organic Frameworks Based on 3,3',5,5'-Azobenzene-tetracarboxylic Acid: Photoluminescences, Magnetic Properties, and Gas Separations. Inorganic chemistry, 2015, 54, 586-595 |
| 4342903 | CIF | C26 H26 F3 N2 O3.5 S Te | I 1 2/c 1 | 14.3566; 10.5736; 35.4072 90; 92.06; 90 | 5371.4 | Aprile, Antonino; Iversen, Kalon J.; Wilson, David J. D.; Dutton, Jason L. Te(II)/Te(IV) Mediated C-N Bond Formation on 2,5-Diphenyltellurophene and a Reassignment of the Product from the Reaction of PhI(OAc)2 with 2 TMS-OTf. Inorganic chemistry, 2015, 54, 4934-4939 |
| 4347558 | CIF | C12 H10 F10 N2 O2 | I 1 2/c 1 | 13.329; 6.542; 17.975 90; 94.41; 90 | 1562.7 | Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S. Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films. Inorganic chemistry, 2016, 55, 5422-5429 |
| 4505344 | CIF | C22 H16 Cl2 Hg Mn N6 | I 1 2/c 1 | 16.0707; 9.014; 16.252 90; 90.127; 90 | 2354.3 | Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B. Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations Crystal Growth & Design, 2004, 4, 621 |
| 4510511 | CIF | C11 H12 Br N3 S2 | I 1 2/c 1 | 23.7103; 4.45641; 25.3321 90; 95.947; 90 | 2662.26 | Phukan, Nithi; Baruah, Jubaraj B. Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers Crystal Growth & Design, 2014, 14, 2640 |
| 4512563 | CIF | O5 Ti3 | I 1 2/c 1 | 9.9695; 5.0739; 7.1817 90; 109.863; 90 | 341.67 | Tanaka, Kenji; Nasu, Tomomichi; Miyamoto, Yasuto; Ozaki, Noriaki; Tanaka, Shu; Nagata, Toshiaki; Hakoe, Fumiyoshi; Yoshikiyo, Marie; Nakagawa, Kosuke; Umeta, Yoshikazu; Imoto, Kenta; Tokoro, Hiroko; Namai, Asuka; Ohkoshi, Shin-ichi Structural Phase Transition between γ-Ti3O5and δ-Ti3O5by Breaking of a One-Dimensionally Conducting Pathway Crystal Growth & Design, 2015, 15, 653 |
| 4514233 | CIF | C30 H32 Fe N P S | I 1 2/c 1 | 15.7631; 9.2957; 35.3175 90; 95.742; 90 | 5149.07 | Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration ACS Catalysis, 2017, 7, 7709 |
| 4514719 | CIF | C18 H10 Cl2 N2 S | I 1 2/c 1 | 18.9763; 13.5616; 24.1428 90; 95.348; 90 | 6186.1 | Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis, 2019, 9, 4015 |
| 4516079 | CIF | C10 H13 Cl N4 O | I 1 2/c 1 | 13.8204; 7.1084; 24.264 90; 105.34; 90 | 2298.8 | Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu 3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling. ACS omega, 2018, 3, 7224-7234 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!