Crystallography Open Database
Search results
Result: there are 312 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 'C 1 m 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2003118 | CIF Paper | C19 Er10 Ru10 | C 1 m 1 | 14.578; 7.2194; 10.004 90; 111.36; 90 | 980.5 | Hoffmann, R.-D.; Jeitschko, W. The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~ Acta Crystallographica Section B, 1998, 54, 834-850 |
| 2005078 | CIF Paper | C6 H9 N S | C 1 m 1 | 8.679; 7.964; 4.86 90; 101.1; 90 | 329.64 | Andras, M. T.; Hepp, A. F.; Fanwick, P. E.; Martuch, R. A.; Duraj, S. A.; Gordon, E. M. 4-Methylpyridinium Hydrogen Sulfide Acta Crystallographica Section C, 1996, 52, 1701-1702 |
| 2005895 | CIF Paper | O14 Os3 Sn15 | C 1 m 1 | 12.399; 7.09; 12.939 90; 108.49; 90 | 1078.7 | Söhnel, T.; Reichelt, W. Os~3~Sn~15~O~14~, ein ternäres Oxid mit osmiumgefüllten Sn~6~-Oktaedern Acta Crystallographica Section C, 1997, 53, 9-11 |
| 2006911 | CIF Paper | Co7 Na4 O24 P6 | C 1 m 1 | 10.506; 14.39; 6.471 90; 105.79; 90 | 941.38 | Kobashi, Dilshat; Kohara, Shizuo; Yamakawa, Junji; Kawahara, Akira Un Monophosphate Synthétique de Sodium et de Cobalt: Na~4~Co~7~(PO~4~)~6~ Acta Crystallographica Section C, 1998, 54, 7-9 |
| 2007733 | CIF Paper | C20 H44 Cl3 Cu N4 Na O20 | C 1 m 1 | 12.6528; 25.849; 5.7717 90; 102.626; 90 | 1842.06 | Ng, Seik Weng; Chen, Xiao-Ming; Yang, Guang Metallo-Ligand [Cu^II^(carboxylato)~4~]^2+^ Cores: Tetrakis(trimethylammonioacetato-<i>O</i>)copper Diperchlorate and its 1/1 Complex with Sodium Perchlorate Acta Crystallographica Section C, 1998, 54, 1389-1393 |
| 2009875 | CIF Paper | C H6 N4 O3 | C 1 m 1 | 12.686; 7.274; 3.629 90; 120.85; 90 | 287.5 | Katrusiak, A.; Szafrański, M. Guanidinium nitrate Acta Crystallographica Section C, 1994, 50, 1161-1163 |
| 2015114 | CIF HKL Paper | C13 H6 O4 S5 | C 1 m 1 | 7.2228; 24.518; 5.033 90; 120.521; 90 | 767.8 | Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Wang, Yan-Ling; Li, Ting-Bin; Guo, Wen-Feng 4,5-Bis(furoylsulfanyl)-1,3-dithiole-2-thione Acta Crystallographica Section C, 2005, 61, o583-o585 |
| 2016362 | CIF HKL Paper | Nb0.61 O3 Pb Ti0.08 Zn0.31 | C 1 m 1 | 5.7461; 5.7278; 4.0409 90; 90.155; 90 | 132.996 | Forrester, Jennifer S.; Kisi, Erich H. Monoclinic PZN-8%PT [Pb(Zn~0.3066~Nb~0.6133~Ti~0.08~)O~3~] at 4K Acta Crystallographica Section C, 2007, 63, i115-i118 |
| 2018872 | CIF | B3 Ca5 F O9 | C 1 m 1 | 8.129; 16.051; 3.539 90; 100.94; 90 | 453.372 | Huang, Q.; Zheng, Y.; Lei, S.; Chen, C.; Jiang, A. Structure of calcium fluoroborate, Ca5 (B O3)3 F Acta Crystallographica C (39,1983-), 1989, 45, 1861-1863 |
| 2021827 | CIF HKL Paper | C19 H24 N6 O6 | C 1 m 1 | 7.2053; 25.253; 6.5134 90; 120.939; 90 | 1016.52 | Rivera, Augusto; Rojas, Jicli José; Sadat-Bernal, John; Ríos-Motta, Jaime; Bolte, Michael Mechanochemical synthesis and X-ray structural characterization of three 3-nitrophenol cocrystals with three aminal cage azaadamantanes: the role of the stereoelectronic effect on intermolecular hydrogen-bonding patterns Acta Crystallographica Section C, 2019, 75 |
| 2100080 | CIF Paper | C38 H39 Mo N O4 P2 | C 1 m 1 | 13.796; 16.637; 9.462 90; 124.43; 90 | 1791.3 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2105071 | CIF HKL Paper | C5 H6 Cl Cr N O3 | C 1 m 1 | 7.7193; 8.6842; 6.3139 90; 96.25; 90 | 420.74 | Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods Acta Crystallographica Section B, 2012, 68, 128-136 |
| 2105988 | CIF HKL Paper | Fe3.539 H4 O9 Si1.461 | C 1 m 1 | 5.5033; 9.5289; 7.3328 90; 104.493; 90 | 372.3 | Hybler, Jiří Refinement of cronstedtite-1<i>M</i> Acta Crystallographica Section B, 2014, 70, 963-972 |
| 2106048 | CIF | Cu1.82 O11 V4 | C 1 m 1 | 15.38; 3.61; 7.37 90; 102; 90 | 400.254 | Galy, J.; Lavaud, D. Structure cristalline du Bronze de Vanadium Cu1.82 V4 O11 Acta Crystallographica B (24,1968-38,1982), 1971, 27, 1005-1009 |
| 2107231 | CIF | La2.98364 Mn S5.45455 | C 1 m 1 | 16.65; 14.082; 17.82 90; 143.3; 90 | 2496.98 | Collin, G.; Laruelle, P. Structure cristalline de La32,66 M11 S6 (M= Mn, Fe) Acta Crystallographica B (24,1968-38,1982), 1974, 30, 1134-1139 |
| 2108260 | CIF HKL | Cu0.184 F3 H8 Mg0.816 O12 U3 | C 1 m 1 | 7.1015; 11.7489; 8.1954 90; 98.087; 90 | 676.98 | Plášil, Jakub; Kampf, Anthony R.; Škoda, Radek; Čejka, Jiří Nollmotzite, Mg[U^V^(U^VI^O~2~)~2~O~4~F~3~]·4H~2~O, the first natural uranium oxide containing fluorine Acta Crystallographica Section B, 2018, 74 |
| 2202397 | CIF HKL Paper | C29 H42 Cs2 N4 O6 | C 1 m 1 | 13.0109; 17.372; 7.8427 90; 107.979; 90 | 1686.1 | Liddle, Stephen T.; Clegg, William Polymeric (18-crown-6)bis(2-amidopyridinecaesium) toluene solvate Acta Crystallographica Section E, 2003, 59, m1062-m1064 |
| 2203622 | CIF HKL Paper | C22 H32 N2 O | C 1 m 1 | 7.9959; 6.8268; 17.2125 90; 92.67; 90 | 938.55 | Deschamps, Jeffrey R.; Parrish, Damon; Zaveri, Nurulain T.; Jiang, Faming 1-[1-(<i>trans</i>-4-Isopropylcyclohexyl)piperidin-4-yl]indolin-2-one, one of a novel series of nociceptin receptor ligands Acta Crystallographica Section E, 2004, 60, o791-o792 |
| 2216814 | CIF HKL Paper | C12 H12 K2 O8 S2 | C 1 m 1 | 5.8316; 19.691; 14.623 90; 98.953; 90 | 1658.7 | Graham Smith; Urs D. Wermuth; Peter C. Healy Dipotassium biphenyl-4,4'-disulfonate dihydrate: a coordination polymer Acta Crystallographica Section E, 2007, 63, m3056-m3057 |
| 2217992 | CIF HKL Paper | C55 H40 Cl F9 O P3 Rh | C 1 m 1 | 10.831; 23.724; 9.845 90; 108.213; 90 | 2403 | Lorenzini, Fabio; Patrick, Brian O.; James, Brian R. Chloridotris[tris(4-fluorophenyl)phosphine]rhodium(I) methanol solvate Acta Crystallographica Section E, 2008, 64, m512-m513 |
| 2242413 | CIF HKL Paper | C5.33333 H8.33333 Br Cl I N2 | C 1 m 1 | 13.9135; 21.9492; 6.4529 90; 128.314; 90 | 1546.2 | Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig Synthesis and crystal structures of 2-bromo-1,3-dimethylimidazolium iodides Acta Crystallographica Section E, 2018, 74, 497-501 |
| 2242690 | CIF HKL | C15 H19 Co N2 O6 | C 1 m 1 | 8.1971; 13.942; 7.4148 90; 91.588; 90 | 847.1 | Ohba, Shigeru; Tsuchimoto, Masanobu; Miyazaki, Hiroki Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-bis(acetylacetonato-<i>O</i>,<i>O</i>')(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III) Acta Crystallographica Section E, 2018, 74, 1637-1642 |
| 2242691 | CIF HKL | C16 H21 Co N2 O6 | C 1 m 1 | 8.2459; 13.9603; 7.9222 90; 96.997; 90 | 905.17 | Ohba, Shigeru; Tsuchimoto, Masanobu; Miyazaki, Hiroki Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-bis(acetylacetonato-<i>O</i>,<i>O</i>')(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III) Acta Crystallographica Section E, 2018, 74, 1637-1642 |
| 2243818 | CIF HKL Paper | As H O7 Te Zn2 | C 1 m 1 | 6.904; 7.7212; 5.726 90; 101.196; 90 | 299.43 | Eder, Felix; Weil, Matthias Crystal structure of Zn~2~(HTeO~3~)(AsO~4~) Acta Crystallographica Section E, 2021, 77, 555-558 |
| 2300580 | CIF | D V2 | C 1 m 1 | 4.46; 3; 4.46 90; 95.5; 90 | 59.4 | Westlake, D.G.; Mueller, M.H.; Knott, H.W. Structural transitions at low temperature in vanadium deuterides of the Ti-V-H system Journal of Applied Crystallography, 1973, 6, 206-216 |
| 3000307 | CIF | B3 Ca4 Dy O10 | C 1 m 1 | 8.0865; 16.0374; 3.54201 90; 101.184; 90 | 450.63 | Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics, 2021, 130, 095102 |
| 3000308 | CIF | B3 Ca4 Er O10 | C 1 m 1 | 8.05839; 15.9814; 3.51846 90; 101.115; 90 | 444.62 | Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics, 2021, 130, 095102 |
| 3000309 | CIF | B3 Ca4 Gd O10 | C 1 m 1 | 8.0942; 16.0133; 3.55682 90; 101.254; 90 | 452.15 | Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics, 2021, 130, 095102 |
| 3000310 | CIF | B3 Ca4 La O10 | C 1 m 1 | 8.1844; 16.0893; 3.6306 90; 101.369; 90 | 468.7 | Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics, 2021, 130, 095102 |
| 3000311 | CIF | B3 Ca4 Nd O10 | C 1 m 1 | 8.11934; 16.043; 3.59765 90; 101.378; 90 | 459.41 | Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics, 2021, 130, 095102 |
| 3000312 | CIF | B3 Ca4 O10 Sm | C 1 m 1 | 8.1267; 16.0711; 3.5862 90; 101.315; 90 | 459.27 | Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics, 2021, 130, 095102 |
| 3000313 | CIF | B3 Ca4 O10 Y | C 1 m 1 | 8.0737; 16.0088; 3.52827 90; 101.166; 90 | 447.4 | Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics, 2021, 130, 095102 |
| 3000496 | On hold until 2024-09-12 | Co O2 | C 1 m 1 | 4.83; 2.82; 4.5 90; 98; 90 | 60.696 | Hettler, Simon; Singha-Roy, Kankona; Arenal, Raul; Panchakarla, Leela Stable CoO~2 Nanoscrolls With Outstanding Electrical Properties To be published in Advanced Materials Interfaces |
| 3000532 | On hold until 2024-11-17 | Ca H16 Li2 | C 1 m 1 | 8.1978112023; 4.7138911; 4.762731223 90; 125.04; 90 | 150.691 | Morgan Redington To be published in Chemistry of Materials |
| 4000077 | CIF | C75 H84 N9 O9 S3 | C 1 m 1 | 13.854; 77.733; 7.5814 90; 121.055; 90 | 6994.3 | Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials, 2001, 13, 3018 |
| 4001055 | CIF | C2 H12 Co3 N2 O14 S3 | C 1 m 1 | 11.6795; 19.9926; 8.9249 90; 93.168; 90 | 2080.81 | Powell, Anthony V.; Leyva-Bailen, Patricia; Vaqueiro, Paz; Sanchez, Rodolfo D. Co3(SO4)3(OH)2[enH2]: A NewS= 3/2 Kagome-Type Layered Sulfate with a Unique Connectivity Chemistry of Materials, 2009, 21, 4102 |
| 4001738 | CIF | B3 Ca4 O10 Sm | C 1 m 1 | 8.114; 16.061; 3.579 90; 101.38; 90 | 457.242 | Nygren, M.; Bovin, J.O.; Norrestam, R. Structural investigations of new calcium-rare earth (R) oxyborates with the composition Ca4RO(BO3)3 Chemistry of Materials (1,1989-), 1992, 4, 737-743 |
| 4001759 | CIF | C7 F N2 O24 Si12 | C 1 m 1 | 10.498797; 14.91631; 8.846944 90; 106.057; 90 | 1331.41 | Rojas, Alex; San-Roman, María Luisa; Zicovich-Wilson, Claudio M.; Camblor, Miguel A. Host‒Guest Stabilization of a Zeolite Strained Framework: In Situ Transformation of Zeolite MTW into the Less Dense and More Strained ITW Chemistry of Materials, 2013, 25, 729 |
| 4002530 | CIF | Co1.8 O6.6 Pb0.83 Sr2.26 | C 1 m 1 | 4.9432; 25.134; 11.617 90; 97.78; 90 | 1430.04 | Pelloquin, D.; Maignan, A.; Hervieu, M.; Hebert, S.; Martin, C.; Michel, C.; Wang, L.-B.; Raveau, B. New misfit cobaltites (Pb0.7 A0.4 Sr1.9 O3) (Co O2)1.8 (A = Hg, Co)with large thermopower Chemistry of Materials (1,1989-), 2002, 14, 3100-3105 |
| 4002747 | CIF | C57 H36 N12 Ni3 O18 | C 1 m 1 | 16.384; 28.376; 13.079 90; 95.57; 90 | 6052 | Jeong, Seok; Kim, Dongwook; Park, Jeongin; Shin, Sunyoung; Kim, Hyehyun; Jeong, Gyoung Hwa; Moon, Dohyun; Moon, Hoi Ri; Lah, Myoung Soo Topology Conversions of Non-Interpenetrated Metal‒Organic Frameworks to Doubly Interpenetrated Metal‒Organic Frameworks Chemistry of Materials, 2017, 29, 3899 |
| 4003232 | CIF | C3 Ca2 F Na3 O9 | C 1 m 1 | 8.0892; 15.9002; 3.5273 90; 101.662; 90 | 444.32 | Luo, Min; Song, Yunxia; Lin, Chensheng; Ye, Ning; Cheng, Wendan; Long, XiFa Molecular Engineering as an Approach To Design a New Beryllium-Free Fluoride Carbonate as a Deep-Ultraviolet Nonlinear Optical Material Chemistry of Materials, 2016, 28, 2301 |
| 4003384 | CIF | C2 H12 F N6 O3 P | C 1 m 1 | 13.2025; 7.2951; 11.7574 90; 119.71; 90 | 983.54 | Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials Chemistry of Materials, 2018, 30, 7823 |
| 4003665 | CIF | Bi2 F2 O9 Rb2 Se3 | C 1 m 1 | 13.096; 5.955; 7.727 90; 92.877; 90 | 601.8 | Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps Chemistry of Materials, 2020 |
| 4003666 | CIF | Bi2 F2 K2 O9 Se3 | C 1 m 1 | 12.8396; 5.8831; 7.6506 90; 93.076; 90 | 577.07 | Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps Chemistry of Materials, 2020 |
| 4022639 | CIF | C391 H66 Cl18 O10 | C 1 m 1 | 20.31; 20.105; 27.042 90; 99.637; 90 | 10887 | Michael Sander; Thibaut Jarrosson; Shih-Ching Chuang; Saeed I. Khan; Yves Rubin Approaches to Open Fullerenes: Synthesis and Thermal Stability of cis-1 Bis(isobenzofuran) Diels-Alder Adducts of C~60~ Journal of Organic Chemistry, 2007, 72, 2724-2731 |
| 4029287 | CIF | C39 H39 N9 | C 1 m 1 | 7.6467; 24.339; 17.615 90; 94.85; 90 | 3266.6 | Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics. The Journal of organic chemistry, 2014, 79, 3559-3571 |
| 4029707 | CIF | C16 H20 N4 O2 | C 1 m 1 | 5.1513; 25.835; 6.7094 90; 99.501; 90 | 880.7 | Sell, Hanno; Näther, Christian; Herges, Rainer Amino-substituted diazocines as pincer-type photochromic switches. Beilstein journal of organic chemistry, 2013, 9, 1-7 |
| 4030523 | CIF | H10 Mo3 N2 O S13 | C 1 m 1 | 11.613; 16.468; 5.722 90; 117.38; 90 | 971.7 | Muller, A.; Diemann, E.; Krickemeyer, E.; Walberg, H.-J.; Bogge, H.; Armatage, A. [MO3IVS(S2)6]2- from amorphous MoS3 by the reaction with OH- and R = 0.015 structure of (NH4)2[MO3IVS(S2)6].H2O European Journal of Solid State and Inorganic Chemistry, 1993, 30, 565-572 |
| 4030525 | CIF | F14 Sr4 Zn3 | C 1 m 1 | 6.743; 11.683; 7.191 90; 90.02; 90 | 566.5 | Karim, M.; El-Ghozzi, M.; Latouche, C.; Avignant, D. Crystal structure of Sr4Zn3F14 : a new stoichiometry in MF2-M'F2 systems European Journal of Solid State and Inorganic Chemistry, 1993, 30, 595-607 |
| 4032789 | CIF | C6 H9 N3 O2 | C 1 m 1 | 7.693; 6.6662; 7.3655 90; 101.9; 90 | 369.608 | Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles. The Journal of organic chemistry, 2017, 82, 8864-8872 |
| 4060377 | CIF | C15 H26 Ru S3 | C 1 m 1 | 8.94; 14.049; 8.0857 90; 122.452; 90 | 857 | Hon Man Lee Organometallics, 2005 |
| 4068113 | CIF | C13 H11 Br2 N2 Sb | C 1 m 1 | 7.7806; 16.546; 5.5726 90; 98.455; 90 | 709.6 | Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P. Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases? Organometallics, 2012, 31, 1025 |
| 4073996 | CIF | C50 H74 B3 Cl5 F12 N6 Ru4 | C 1 m 1 | 20.6064; 15.2933; 11.5848 90; 111.056; 90 | 3407.1 | Viciano, Mónica; Sanaú, Mercedes; Peris, Eduardo Ruthenium Janus-Head Complexes with a Triazolediylidene Ligand. Structural Features and Catalytic Applications Organometallics, 2007, 26, 6050 |
| 4079766 | CIF | C26 H39 Ca I O4 | C 1 m 1 | 12.1149; 13.5272; 8.3474 90; 99.737; 90 | 1348.27 | Köhler, Mathias; Langer, Jens; Görls, Helmar; Westerhausen, Matthias Synthesis and Molecular Structures of Meta-Substituted Arylcalcium Iodides Organometallics, 2012, 31, 8647 |
| 4081429 | CIF | C16 H37 Cl4 N Ni P2 | C 1 m 1 | 11.4524; 14.56303; 7.24125 90; 104.109; 90 | 1171.28 | Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H. Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole Organometallics, 2013, 32, 5153 |
| 4085839 | CIF | C54 H110 N2 Os2 P4 | C 1 m 1 | 15.461; 17.256; 11.892 90; 100.563; 90 | 3119 | Eguillor, Beatriz; Esteruelas, Miguel A.; Fernández, Israel; Gómez-Gallego, Mar; Lledós, Agustí; Martín-Ortiz, Mamen; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A. Azole Assisted C‒H Bond Activation Promoted by an Osmium-Polyhydride: Discerning between N and NH Organometallics, 2015, 34, 1898 |
| 4088189 | CIF | C16 H36 Pb Si4 | C 1 m 1 | 11.7157; 17.054; 6.2809 90; 112.405; 90 | 1160.2 | Lee, Vladimir Ya.; Gapurenko, Olga A.; Ito, Yuki; Meguro, Takahiko; Sugasawa, Haruka; Sekiguchi, Akira; Minyaev, Ruslan M.; Minkin, Vladimir I.; Herber, Rolfe H.; Gornitzka, Heinz Pyramidanes: The Covalent Form of the Ionic Compounds Organometallics, 2016, 35, 346 |
| 4101859 | CIF | B3 Bi Cd4 O10 | C 1 m 1 | 8.044; 15.913; 3.4891 90; 100.08; 90 | 439.7 | Wei-Long Zhang; Wen-Dan Cheng; Hao Zhang; Lei Geng; Chen-Sheng Lin; Zhang-Zhen He A Strong Second-Harmonic Generation Material Cd4BiO(BO3)3 Originating from 3-Chromophore Asymmetric Structures Journal of the American Chemical Society, 2010, 132, 1508-1509 |
| 4112882 | CIF | O48 Si24 | C 1 m 1 | 10.336; 15.0177; 8.8639 90; 105.356; 90 | 1326.76 | Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12 Journal of the American Chemical Society, 2004, 126, 10403-10409 |
| 4112883 | CIF | C6 F N2 O24 Si12 | C 1 m 1 | 10.44783; 14.9854; 8.83659 90; 105.935; 90 | 1330.34 | Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12 Journal of the American Chemical Society, 2004, 126, 10403-10409 |
| 4114343 | CIF | C16 H36 Cl2 F2 P2 Pd | C 1 m 1 | 10.955; 14.568; 6.737 90; 99.408; 90 | 1060.71 | Anette Yahav; Israel Goldberg; Arkadi Vigalok Synthesis of the Elusive (R3P)2MF2 (M = Pd, Pt) Complexes Journal of the American Chemical Society, 2003, 125, 13634-13635 |
| 4119946 | CIF | C16 H36 Si4 Sn | C 1 m 1 | 11.742; 17.046; 6.316 90; 112.5; 90 | 1167.9 | Vladimir Ya. Lee; Yuki Ito; Akira Sekiguchi; Heinz Gornitzka; Olga A. Gapurenko; Vladimir I. Minkin; Ruslan M. Minyaev Pyramidanes Journal of the American Chemical Society, 2013, 135, 8794-8797 |
| 4124116 | CIF | C10 F2 N4 O48 Si24 | C 1 m 1 | 10.44783; 14.9854; 8.83659 90; 105.935; 90 | 1330.33 | Yang, X.; Camblor, M.A.; Olson, D.H.; Liu, H.; Lee, Y. Synthesis and crystal structure of as-synthesized and calcined silica zeolite ITQ-12 Journal of the American Chemical Society, 2004, 126, 10403-10409 |
| 4130988 | CIF | C64 H72 Au8 F24 N30 P4 | C 1 m 1 | 29.525; 23.121; 14.177 90; 103.333; 90 | 9417 | Altmann, Philipp J.; Pöthig, Alexander Pillarplexes: A Metal-Organic Class of Supramolecular Hosts. Journal of the American Chemical Society, 2016, 138, 13171-13174 |
| 4134134 | CIF | C4 H9 Cl N8 O2 | C 1 m 1 | 12.876; 19.258; 3.752 90; 90.828; 90 | 930.3 | Huang, Wei; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M. Nitrogen-Rich Tetrazolo[1,5-b]pyridazine: Promising Building Block for Advanced Energetic Materials. Journal of the American Chemical Society, 2020 |
| 4134813 | CIF | C7 H21 Br7 N4 Pb2 | C 1 m 1 | 8.4615; 8.465; 16.004 90; 89.99; 90 | 1146.3 | Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G. Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>. Journal of the American Chemical Society, 2020 |
| 4305720 | CIF | C12 H16 Cl3 N8 Os | C 1 m 1 | 11.229; 12.259; 7.008 90; 104.11; 90 | 935.6 | Iryna Stepanenko; Artem A. Krokhin; Roland O. John; Alexander Roller; Vladimir B. Arion; Michael A. Jakupec; Bernhard K. Keppler Synthesis, Structure, Spectroscopic Properties, and Antiproliferative Activity In Vitro of Novel Osmium(III) Complexes with Azole Heterocycles Inorganic Chemistry, 2008, 47, 7338-7347 |
| 4307287 | CIF | C23 H39 B Cl7 Co N9 | C 1 m 1 | 9.6047; 21.543; 9.32 90; 105.398; 90 | 1859.2 | Finith E. Jernigan; Nathan A. Sieracki; Michael T. Taylor; Aaron S. Jenkins; Sharon E. Engel; Brittany W. Rowe; Fernando A. Jové; Glenn P. A. Yap; Elizabeth T. Papish; Gregory M. Ferrence Sterically Bulky Tris(triazolyl)borate Ligands as Water-Soluble Analogues of Tris(pyrazolyl)borate Inorganic Chemistry, 2007, 46, 360-362 |
| 4310272 | CIF | C14 H6 Ag N7 O3 | C 1 m 1 | 7.3277; 25.005; 5.3681 90; 128.929; 90 | 765.16 | Ping Lin; Richard A. Henderson; Ross W. Harrington; William Clegg; Chuan-De Wu; Xin-Tao Wu New 1- and 2-Dimensional Polymeric Structures of Cyanopyridine Complexes of AgI and CuI Inorganic Chemistry, 2004, 43, 181-188 |
| 4311225 | CIF | C39 H80 Cl2 N13 O20 P Zn4 | C 1 m 1 | 17.586; 14.211; 12.943 90; 109.96; 90 | 3040.3 | Bernhard Bauer-Siebenlist; Franc Meyer; Etelka Farkas; Denis Vidovic; Jose Antonio Cuesta-Seijo; Regine Herbst-Irmer; Hans Pritzkow Correlation of Structure and Function in Oligonuclear Zinc(II) Model Phosphatases Inorganic Chemistry, 2004, 43, 4189-4202 |
| 4313843 | CIF | C32 H70 Li2 N6 O2 P2 | C 1 m 1 | 11.917; 16.255; 11.025 90; 108.76; 90 | 2022.2 | Tristram Chivers; Mark Krahn; Gabriele Schatte; Masood Parvez Lithiation of Tris(alkyl- and arylamido)orthophosphates EP[N(H)R]3 (E = O, S, Se): Imido Substituent Effects and PE Bond Cleavage Inorganic Chemistry, 2003, 42, 3994-4005 |
| 4314415 | CIF | C8 H6 Ag F6 N4 O P S | C 1 m 1 | 11.0769; 10.2263; 6.0199 90; 112.153; 90 | 631.57 | Chong-Qing Wan; Liang Zhao; Thomas C. W. Mak Dipyrazinyl Sulfoxide Complexes of Silver(I), Zinc(II), and Cadmium(II): Ligation Modes and Anion Tuning Inorganic Chemistry, 2010, 49, 97-107 |
| 4318258 | CIF | C6 Ge10 N4 O22 | C 1 m 1 | 14.0495; 12.8058; 9.2637 90; 128.406; 90 | 1306.06 | Lionel Beitone; Thierry Loiseau; Gérard Férey Hydrothermal Synthesis and Structural Characterization of a New Organically Templated Germanate, Ge10O21(OH).N4C6H21 Inorganic Chemistry, 2002, 41, 3962-3966 |
| 4320514 | CIF | C24 H43 Cl7 Fe3 Mo N3 O2 S4 | C 1 m 1 | 13.09; 19.775; 9.6856 90; 126.75; 90 | 2008.9 | Jaehong Han; Markos Koutmos; Saleem Al Ahmad; Dimitri Coucouvanis Rational Synthesis of High Nuclearity Mo/Fe/S Clusters: The Reductive Coupling Approach in the Convenient Synthesis of (Cl4-cat)2Mo2Fe6S8(PR3)6 [R = Et, nPr, nBu] and the New [(Cl4-cat)2Mo2Fe2S3O(PEt3)3Cl].1/2(Fe(PEt3)2(MeCN)4) and (Cl4-cat)2Mo2Fe3S5(PEt3)5 Clusters Inorganic Chemistry, 2001, 40, 5985-5999 |
| 4324929 | CIF | C20 H43 B22 F22 Hg N3 | C 1 m 1 | 16.6852; 16.0034; 11.2335 90; 131.437; 90 | 2248.7 | Alexander Himmelspach; Manfred Zähres; Maik Finze Salts of the Lewis-Acidic Dianion [Hg(closo-1-CB11F11)2]2-: Coordination of Acetonitrile and Water Inorganic Chemistry, 2011, 50, 3186-3188 |
| 4326003 | CIF | As2 Ca2 Cd | C 1 m 1 | 21.5152; 4.3005; 14.3761 90; 110.017; 90 | 1249.81 | Jian Wang; Min Yang; Ming-Yan Pan; Sheng-Qing Xia; Xu-Tang Tao; Hua He; Gregory Darone; Svilen Bobev Synthesis, Crystal and Electronic Structures, and Properties of the New Pnictide Semiconductors A2CdPn2 (A= Ca, Sr, Ba, Eu;Pn= P, As) Inorganic Chemistry, 2011, 50, 8020-8027 |
| 4331410 | CIF | Ag3 P11 | C 1 m 1 | 12.999; 7.555; 6.612 90; 118.84; 90 | 568.809 | Jeitschko, W.; Moeller, M.H. Preparation and crystal structure of trisilver undecaphosphide, Ag3 P11, an unusual defect tetrahedral compound Inorganic Chemistry, 1981, 20, 833-839 |
| 4331829 | CIF | C F3 O3 Rb S | C 1 m 1 | 19.9674; 23.4892; 5.15189 90; 102.757; 90 | 2356.69 | Hildebrandt, Lars; Dinnebier, Robert; Jansen, Martin Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trifluoromethyl Sulfonate, RbSO3CF3 Inorganic Chemistry, 2006, 45, 3217-3223 |
| 4335679 | CIF | F12 H2 O U3 | C 1 m 1 | 12.1594; 11.8457; 8.5409 90; 128.787; 90 | 958.92 | Jeongho Yeon; Mark D. Smith; Athena S. Sefat; T. Thao Tran; P. Shiv Halasyamani; Hans-Conrad zur Loye U3F12(H2O), a Noncentrosymmetric Uranium(IV) Fluoride Prepared via a Convenient In Situ Route That Creates U4+ under Mild Hydrothermal Conditions Inorganic Chemistry, 2013, 52, 8303-8305 |
| 4336779 | CIF | Bi Co0.2 Fe0.8 O3 | C 1 m 1 | 5.33416; 5.33424; 4.70269 90; 90.0935; 90 | 133.809 | Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa Crystal and Magnetic Structure in Co-Substituted BiFeO3 Inorganic Chemistry, 2013, 52, 13269-13277 |
| 4340875 | CIF | C25 H24 Br4 F25 N3 O8 P4 Rh2 | C 1 m 1 | 14.074; 21.28; 9.6086 90; 124.859; 90 | 2361.3 | Powers, David C.; Hwang, Seung Jun; Zheng, Shao-Liang; Nocera, Daniel G. Halide-Bridged Binuclear HX-Splitting Catalysts. Inorganic chemistry, 2014, 53, 9122-9128 |
| 4341244 | CIF | C12 H28 Cd Cl4 N2 | C 1 m 1 | 17.874; 27.273; 11.528 90; 105.453; 90 | 5416 | Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Li, Peng-Fei; Chen, Li-Zhuang; Zhang, Yi Temperature-Triggered Reversible Dielectric and Nonlinear Optical Switch Based on the One-Dimensional Organic-Inorganic Hybrid Phase Transition Compound [C6H11NH3]2CdCl4. Inorganic chemistry, 2014, 53, 11146-11151 |
| 4342499 | CIF | Bi1.5 Cr1.25 Se4 | C 1 m 1 | 6.1706; 17.748; 11.474 90; 95.04; 90 | 1251.7 | Clarke, Samantha M.; Freedman, Danna E. (BiSe)1.23CrSe2 and (BiSe)1.22(Cr1.2Se2)2: Magnetic Anisotropy in the First Structurally Characterized Bi-Se-Cr Ternary Compounds. Inorganic chemistry, 2015, 54, 2765-2771 |
| 4342502 | CIF | Bi1.5 Cr3 Se6.5 | C 1 m 1 | 6.2044; 17.9594; 17.2313 90; 93.537; 90 | 1916.4 | Clarke, Samantha M.; Freedman, Danna E. (BiSe)1.23CrSe2 and (BiSe)1.22(Cr1.2Se2)2: Magnetic Anisotropy in the First Structurally Characterized Bi-Se-Cr Ternary Compounds. Inorganic chemistry, 2015, 54, 2765-2771 |
| 4344256 | CIF | C12 H3 B O12 Ru4 | C 1 m 1 | 10.432; 15.709; 6.472 90; 112.86; 90 | 977.304 | Hong, F.E.; White, J.P.; McCarthy, D.A.; Cotrell, C.E.; Shore, S.G. Reaction of THF.BH3 with H2 Ru4 (C O)13 and H4 Ru4 (C O)12; Preparation and Structure of the Tetraruthenium 'butterfly' cluster H Ru4 (C O)12 B H2 Inorganic Chemistry, 1990, 29, 2874-2876 |
| 4347003 | CIF | C16 H32 Cl6 Cu3 O4 | C 1 m 1 | 11.376; 11.0267; 9.7439 90; 91.499; 90 | 1221.9 | Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role? Inorganic chemistry, 2016, 55, 3759-3766 |
| 4349749 | CIF | C18 H19 Ag F6 N3 O2 Sb | C 1 m 1 | 20.79; 17.444; 7.132 90; 108.868; 90 | 2447.5 | Das, Debarati; Biradha, Kumar Metal‒organic gels of silver salts with an α,β-unsaturated ketone: the influence of anions and solvents on gelation Inorganic Chemistry Frontiers, 2017, 4, 1365 |
| 4503488 | CIF | C15 H15 Cl5 Cu5 N3 S3 | C 1 m 1 | 10.894; 20.828; 5.325 90; 104.344; 90 | 1170.6 | Hao, Zheng-Ming; Zhang, Xian-Ming Phosphorescent Acentric Cuprous Halide Coordination Polymers for Nolinear Optical Materials Crystal Growth & Design, 2008, 8, 2359 |
| 4503568 | CIF | Cs2 Hg3 I8 | C 1 m 1 | 7.4415; 21.6629; 7.6726 90; 108.05; 90 | 1175.99 | Zhang, Gang; Qin, Jingui; Liu, Tao; Zhu, Tianxiang; Fu, Peizhen; Wu, Yicheng; Chen, Chuangtian Synthesis, Characterization, and Crystal Growth of Cs2Hg3I8: A New Second-Order Nonlinear Optical Material Crystal Growth & Design, 2008, 8, 2946 |
| 4506535 | CIF | C6 H12 I4 N2 | C 1 m 1 | 13.4915; 39.8655; 6.4622 90; 107.925; 90 | 3307 | Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts Crystal Growth & Design, 2012, 12, 4157 |
| 4508350 | CIF | C27 H45 F24 K N6 P4 | C 1 m 1 | 13.7662; 16.8462; 8.50641 90; 95.9664; 90 | 1962.02 | Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids Crystal Growth & Design, 2013, 13, 4615 |
| 5000090 | CIF | Al2 H8 O11 Si2 | C 1 m 1 | 5.2; 8.92; 10.25 90; 100; 90 | 468.2 | Mehmel, M Ueber die Struktur von Halloysit und Metahalloysit. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1935, 90, 35-43 |
| 5000156 | CIF | C H6 N4 O3 | C 1 m 1 | 12.706; 7.26; 3.6077 90; 121.01; 90 | 285.23 | Katrusiak, A.; Szafrański, M. Structural phase transitions in guanidinium nitrate Journal of Molecular Structure, 1996, 378, 205-223 |
| 6000753 | CIF | B3 Ca4 La O10 | C 1 m 1 | 8.1732; 16.086; 3.6268 90; 101.4; 90 | 467.42 | Zhang, Y.; Chen, X. L.; Liang, J. K.; Cao, Y. G.; Xu, T. Phase relations in the system La2O3-CaO-B2O3 Journal of Alloys and Compounds, 2001, 315, 198-202 |
| 7010680 | CIF | C24 H46 Cl2 O10 Ru4 | C 1 m 1 | 9.4441; 16.2936; 11.2913 90; 106.534; 90 | 1665.6 | Chérioux, Frédéric; Maisse-François, Aline; Neels, Antonia; Stoeckli-Evans, Helen; Süss-Fink, Georg Nucleophilic addition reactions on the electron-deficient cluster dication [H4Ru4(C6H6)4]2+: synthesis and structural characterisation of the water-soluble cluster cations [H3Ru4(C6H6)4(CO)]+and [H3Ru4(C6H6)4(OH)]2+† Journal of the Chemical Society, Dalton Transactions, 2001, 2184 |
| 7010725 | CIF | C25 H27 Co1.5 N7.5 O21.5 P0.5 W5.5 | C 1 m 1 | 16.331; 25.873; 10.726 90; 118.902; 90 | 3967.6 | Yan, Bangbo; Xu, Yan; Bu, Xianhui; Goh, Ngoh K.; Chia, Lian S.; Stucky, Galen D. Hydrothermal syntheses and structures of three one-dimensional heteropolytungstates formed by Dawson or Keggin cluster units Journal of the Chemical Society, Dalton Transactions, 2001, 2009 |
| 7019214 | CIF | C8 H12 Ba N4 O7 | C 1 m 1 | 9.5261; 15.77; 4.3128 90; 97.767; 90 | 641.95 | Deng, Zhao-Peng; Kang, Wei; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui; Gao, Shan Cation radii induced structural variation in fluorescent alkaline earth networks constructed from tautomers of a nucleobase analogue. Dalton transactions (Cambridge, England : 2003), 2012, 41, 8354-8360 |
| 7021582 | CIF | C24 H16 N2 | C 1 m 1 | 8.6722; 24.417; 3.9321 90; 103.73; 90 | 808.8 | Gildea, Louise F.; Batsanov, Andrei S.; Williams, J. A. Gareth Bright orange/red-emitting rhodium(iii) and iridium(iii) complexes: tridentate N^C^N-cyclometallating ligands lead to high luminescence efficiencies. Dalton transactions (Cambridge, England : 2003), 2013, 42, 10388-10393 |
| 7029889 | CIF | C16 H24 Ag3 Mo12 N8 O42 P | C 1 m 1 | 12.973; 19.165; 9.998 90; 101.712; 90 | 2434 | Tian, Ai-Xiang; Yang, Yang; Ying, Jun; Li, Na; Lin, Xiao-Ling; Zhang, Ju-Wen; Wang, Xiu-Li The key role of -CH3 steric hindrance in bis(pyrazolyl) ligand on polyoxometalate-based compounds. Dalton transactions (Cambridge, England : 2003), 2014, 43, 8405-8413 |
| 7030761 | CIF | Cs2 H2 Hg3 I8 O | C 1 m 1 | 7.43; 21.644; 7.671 90; 107.962; 90 | 1173.5 | Wu, Qi; Huang, Yin; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui Exploration of new second-order nonlinear optical materials of the Cs-Hg-Br-I system. Dalton transactions (Cambridge, England : 2003), 2014, 43, 8899-8904 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!