Crystallography Open Database
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Searching space group like 'C 1 2/m 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4002581 | CIF | Ba2.6 Ca2.4 La4 Mn4 O19 | C 1 2/m 1 | 9.8394; 5.6823; 15.6435 90; 102.093; 90 | 855.226 | Bie Lijian; Wang Yingxia; You Liping; Lin Jianhua; Richardson, J.W.jr.; Dong Cheng; Loong Chun-K Synthesis and structure of n = 5 member of the An+1 Mnn O3n+3 (A2 O) series Chemistry of Materials (1,1989-), 2003, 15, 516-522 |
| 4002705 | CIF | Ca1.88 Li2 Mg2 N6 Si2 Sr0.12 | C 1 2/m 1 | 5.5744; 9.8439; 6.017 90; 97.252; 90 | 327.535 | Strobel, Philipp; Weiler, Volker; Hecht, Cora; Schmidt, Peter J.; Schnick, Wolfgang Luminescence of the Narrow-Band Red Emitting Nitridomagnesosilicate Li2(Ca1‒xSrx)2[Mg2Si2N6]:Eu2+ (x = 0‒0.06) Chemistry of Materials, 2017, 29, 1377 |
| 4002827 | CIF | C5 H6 Al3 F10 N | C 1 2/m 1 | 8.2706; 6.1998; 10.525 90; 103.38; 90 | 525.03 | Harlow, Richard L.; Herron, Norman; Li, Zhigang; Vogt, Thomas; Solovyov, Leonid; Kirik, Sergei The DuPont Powder Challenge: the crystal structure of [C5NH6][Al3F10] - A cautionary tale Chemistry of Materials, 1999, 11, 2562-2567 |
| 4002828 | CIF | Cu3 K Se2 | C 1 2/m 1 | 15.417; 4.0742; 8.319 90; 112.94; 90 | 481.2 | Rettie, Alexander J. E.; Sturza, Mihai; Malliakas, Christos D.; Botana, Antia S.; Chung, Duck Young; Kanatzidis, Mercouri G. Copper Vacancies and Heavy Holes in the Two-Dimensional Semiconductor KCu3‒xSe2 Chemistry of Materials, 2017 |
| 4002852 | CIF | Bi4 Cd Se8 Sn | C 1 2/m 1 | 13.679; 4.153; 15.127 90; 115.51; 90 | 775.57 | Zhao, Jing; Islam, Saiful M.; Hao, Shiqiang; Tan, Gangjian; Su, Xianli; Chen, Haijie; Lin, Wenwen; Li, Rukang; Wolverton, Chris; Kanatzidis, Mercouri G. Semiconducting Pavonites CdMBi4Se8 (M = Sn and Pb) and Their Thermoelectric Properties Chemistry of Materials, 2017, 29, 8494 |
| 4002853 | CIF | Bi4.04 Cd0.99 Pb0.96 Se8 | C 1 2/m 1 | 13.713; 4.1665; 15.228 90; 115.56; 90 | 784.9 | Zhao, Jing; Islam, Saiful M.; Hao, Shiqiang; Tan, Gangjian; Su, Xianli; Chen, Haijie; Lin, Wenwen; Li, Rukang; Wolverton, Chris; Kanatzidis, Mercouri G. Semiconducting Pavonites CdMBi4Se8 (M = Sn and Pb) and Their Thermoelectric Properties Chemistry of Materials, 2017, 29, 8494 |
| 4002873 | CIF | C2 H12 Br4 N2 Pd | C 1 2/m 1 | 9.9491; 10.5856; 10.6882 90; 102.604; 90 | 1098.52 | Wong, Man Kwong; Liu, Fangzhou; Kam, Chun Sing; Leung, Tik Lun; Tam, Ho Won; Djurišić, Aleksandra B.; Popović, Jasminka; Li, Hangkong; Shih, Kaimin; Low, Kam-Hung; Chan, Wai Kin; Chen, Wei; He, Zhubing; Ng, Annie; Surya, Charles Synthesis of Lead-Free Perovskite Films by Combinatorial Evaporation: Fast Processes for Screening Different Precursor Combinations Chemistry of Materials, 2017, 29, 9946 |
| 4002910 | CIF | Bi3.48 In0.51 Mn2.03 Se8 | C 1 2/m 1 | 13.279; 4.066; 14.988 90; 115.43; 90 | 730.832 | Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G. Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity Chemistry of Materials, 2019, 31, 3430 |
| 4002911 | CIF | Ag1.61 Bi5.46 Cd0.94 Se10 | C 1 2/m 1 | 13.684; 4.16; 17.082 90; 94.05; 90 | 969.972 | Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G. Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity Chemistry of Materials, 2019, 31, 3430 |
| 4002912 | CIF | Ag2.36 Cd0.96 Sb6.53 Se12 | C 1 2/m 1 | 13.547; 4.087; 20.706 90; 102.36; 90 | 1119.85 | Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G. Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity Chemistry of Materials, 2019, 31, 3430 |
| 4002913 | CIF | Bi3 In Pb S7 | C 1 2/m 1 | 13.014; 3.991; 12.003 90; 104.23; 90 | 604.294 | Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G. Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity Chemistry of Materials, 2019, 31, 3430 |
| 4002914 | CIF | Ag2 Bi6 Cd Se11 | C 1 2/m 1 | 13.633; 4.146; 19.335 90; 104.64; 90 | 1057.38 | Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G. Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity Chemistry of Materials, 2019, 31, 3430 |
| 4002915 | CIF | Bi4 Cd Pb2 S9 | C 1 2/m 1 | 13.156; 4.011; 15.151 90; 99.87; 90 | 787.666 | Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G. Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity Chemistry of Materials, 2019, 31, 3430 |
| 4002942 | CIF | Cl5 Mo | C 1 2/m 1 | 17.9067; 17.605; 5.7065 90; 90.212; 90 | 1798.9 | McGuire, Michael A.; Pandey, Tribhuwan; Mu, Sai; Parker, David S. Ferromagnetic Spin-1/2 Dimers with Strong Anisotropy in MoCl5 Chemistry of Materials, 2019, 31, 2952 |
| 4003066 | CIF | C10 H6 Cl2 N2 O4 | C 1 2/m 1 | 8.2924; 6.6543; 10.9934 90; 101.594; 90 | 594.24 | Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O. Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz Chemistry of Materials, 2019, 31, 4514 |
| 4003074 | CIF | Bi2 Ni | C 1 2/m 1 | 12.1135; 3.83754; 5.2749 90; 100.909; 90 | 240.778 | Clarke, Samantha M.; Powderly, Kelly M.; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Freedman, Danna E. Controlling Dimensionality in the Ni‒Bi System with Pressure Chemistry of Materials, 2019, 31, 955 |
| 4003075 | CIF | Bi2 Ni | C 1 2/m 1 | 12.80484; 4.04053; 5.51174 90; 100.988; 90 | 279.94 | Clarke, Samantha M.; Powderly, Kelly M.; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Freedman, Danna E. Controlling Dimensionality in the Ni‒Bi System with Pressure Chemistry of Materials, 2019, 31, 955 |
| 4003118 | CIF | Al5 Mg N7 Sr2 | C 1 2/m 1 | 11.12874; 3.2729; 10.5453 90; 109.894; 90 | 361.173 | Wagatha, Peter; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang Tunable Red Luminescence in Nitridomagnesoaluminates α-Sr2[MgAl5N7]:Eu2+, β-Sr2[MgAl5N7]:Eu2+, and Sr8[LiMg2Al21N28]:Eu2+ Chemistry of Materials, 2018, 30, 1755 |
| 4003243 | CIF | C4 H16 N2 O8 S2 Zn | C 1 2/m 1 | 17.309; 9.215; 9.142 90; 118.615; 90 | 1280.1 | Ogiwara, Naoki; Inukai, Munehiro; Itakura, Tomoya; Horike, Satoshi; Kitagawa, Susumu Fast Conduction of Organic Cations in Metal Sulfate Frameworks Chemistry of Materials, 2016, 28, 3968 |
| 4003376 | CIF | C6 H18 I8 N2 O2 Pb3 | C 1 2/m 1 | 21.822; 4.5979; 16.653 90; 101.8; 90 | 1635.6 | Fateev, Sergey A.; Petrov, Andrey A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B. Solution Processing of Methylammonium Lead Iodide Perovskite from γ-Butyrolactone: Crystallization Mediated by Solvation Equilibrium Chemistry of Materials, 2018, 30, 5237 |
| 4003378 | CIF | C28 H18 N O4 Zn | C 1 2/m 1 | 22.03; 21.02; 15.27 90; 131.61; 90 | 5287 | Qi, Yi; Xu, Huoshu; Li, Xiaomin; Tu, Binbin; Pang, Qingqing; Lin, Xiao; Ning, Erlong; Li, Qiaowei Structure Transformation of a Luminescent Pillared-Layer Metal‒Organic Framework Caused by Point Defects Accumulation Chemistry of Materials, 2018, 30, 5478 |
| 4003565 | CIF | C20 H14 N2 O2 | C 1 2/m 1 | 13.534; 15.352; 7.4821 90; 92.14; 90 | 1553.5 | Liu, Kun; Lei, Yilong; Fu, Hongbing A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures Chemistry of Materials, 2020 |
| 4003709 | CIF | Cu8 K3 S4 Te2 | C 1 2/m 1 | 18.117; 3.937; 9.982 90; 102.542; 90 | 695 | Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Slade, Tyler J.; Wolverton, Chris; Kanatzidis, Mercouri G. Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions Chemistry of Materials, 2020 |
| 4003864 | CIF | Mg3 Sb2 | C 1 2/m 1 | 15.118; 4.2228; 7.7014 90; 117.56; 90 | 435.9 | Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure Chemistry of Materials, 2021, 33, 567-573 |
| 4003944 | CIF | As6 Cd2 La3 | C 1 2/m 1 | 21.732; 4.0928; 12.323 90; 100.92; 90 | 1076.2 | Piva, Mario M.; Rahn, Marein C.; Thomas, Sean M.; Scott, Brian L.; Pagliuso, Pascoal G.; Thompson, Joe D.; Schoop, Leslie M.; Ronning, Filip; Rosa, Priscila F. S. Robust Narrow-Gap Semiconducting Behavior in Square-Net La3Cd2As6 Chemistry of Materials, 2021 |
| 4003945 | CIF | As6 Cd2 Ce3 | C 1 2/m 1 | 21.621; 4.0634; 12.224 90; 100.84; 90 | 1054.8 | Piva, Mario M.; Rahn, Marein C.; Thomas, Sean M.; Scott, Brian L.; Pagliuso, Pascoal G.; Thompson, Joe D.; Schoop, Leslie M.; Ronning, Filip; Rosa, Priscila F. S. Robust Narrow-Gap Semiconducting Behavior in Square-Net La3Cd2As6 Chemistry of Materials, 2021 |
| 4003953 | CIF | As Cs0.11 Si0.95 Zn0.05 | C 1 2/m 1 | 35.201; 3.6649; 9.9848 90; 91.863; 90 | 1287.44 | Mark, Justin; Woo, Katherine E.; Zhu, Weidi; Ji, Bingheng; Lee, Shannon J.; Adeyemi, Adedoyin N.; Sen, Sabyasachi; Kovnir, Kirill Two-Dimensional and Three-Dimensional Tetrel-Arsenide Frameworks Templated by Li and Cs Cations Chemistry of Materials, 2021, 33, 4586-4595 |
| 4004049 | CIF | Cr K Se2 | C 1 2/m 1 | 6.5845; 3.8012; 7.7116 90; 106.548; 90 | 185.019 | Song, Xiaoyu; Schneider, Sarah N.; Cheng, Guangming; Khoury, Jason F.; Jovanovic, Milena; Yao, Nan; Schoop, Leslie M. Kinetics and Evolution of Magnetism in Soft-Chemical Synthesis of CrSe2 from KCrSe2 Chemistry of Materials, 2021, 33, 8070-8078 |
| 4024799 | CIF | C93 H96 F45 N21 O24 P4.5 Pd3 S6 | C 1 2/m 1 | 27.957; 19.8218; 36.046 90; 111.639; 90 | 18567 | Víctor Blanco; Albert Gutiérrez; Carlos Platas-Iglesias; Carlos Peinador; José M. Quintela Expanding the Cavity Size: Preparation of 2:1 Inclusion Complexes Based on Dinuclear Square Metallocycles Journal of Organic Chemistry, 2009, 74, 6577-6583 |
| 4025948 | CIF | C39 H44 F6 N2 O10 P | C 1 2/m 1 | 32.186; 11.5459; 12.7286 90; 104.996; 90 | 4569.1 | Moorthy Suresh; Amal Kumar Mandal; Manoj K. Kesharwani; N. N. Adarsh; Bishwajit Ganguly; Ravi Kumar Kanaparthi; Anunay Samanta; Amitava Das Folding and Unfolding Movements in a [2]Pseudorotaxane Journal of Organic Chemistry, 2011, 76, 138-144 |
| 4026181 | CIF | C58 H39 B F24 N3 Rh | C 1 2/m 1 | 18.846; 16.285; 18.584 90; 90.355; 90 | 5703 | Marianne Lenes Rosenberg; Klára Vlašaná; Nalinava Sen Gupta; David Wragg; Mats Tilset Highlycis-Selective Rh(I)-Catalyzed Cyclopropanation Reactions Journal of Organic Chemistry, 2011, 76, 2465-2470 |
| 4026245 | CIF | C26 H7.5 N0.25 Sc0.75 | C 1 2/m 1 | 17.441; 14.2204; 11.6628 90; 106.274; 90 | 2776.69 | Laura P. Hernández-Eguía; Eduardo C. Escudero-Adán; Julio R. Pinzón; Luis Echegoyen; Pablo Ballester Complexation of Sc3N@C80 Endohedral Fullerene with Cyclic Zn-Bisporphyrins: Solid State and Solution Studies Journal of Organic Chemistry, 2011, 76, 3258-3265 |
| 4027814 | CIF | Ag2 O6 P V | C 1 2/m 1 | 12.431; 6.298; 6.3 90; 90.38; 90 | 493.219 | Lii, K.-H.; Wang, S.-L.; Tsai, P.-P.; Kang, H.-Y. Hydrothermal synthesis. Crystal structure and ionic conductivity ofAg2VO2PO4 : a new layered phosphate of vanadium(V) Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1993, 1993, 1525-1528 |
| 4028337 | CIF | C19 H17 N O4 | C 1 2/m 1 | 13.6406; 10.3114; 11.6169 90; 94.785; 90 | 1628.3 | Claudio Martínez; Yichen Wu; Adam B. Weinstein; Shannon S. Stahl; Guosheng Liu; Kilian Muñiz Palladium-Catalyzed Intermolecular Aminoacetoxylation of Alkenes and the Influence of PhI(OAc)2 on Aminopalladation Stereoselectivity Journal of Organic Chemistry, 2013, 78, 6309-6315 |
| 4029853 | CIF | C15 H11 N3 O3 | C 1 2/m 1 | 12.395; 12.8325; 7.9578 90; 101.99; 90 | 1238.14 | Breton, Gary W.; Hughes, Joshua S.; Pitchko, Timothy J.; Martin, Kenneth L.; Hardcastle, Kenneth Unexpected σ Bond Rupture during the Reaction of N-Methyl-1,2,4-triazoline-3,5-dione with Acenaphthylene and Indene. The Journal of organic chemistry, 2014, 79, 8212-8220 |
| 4030178 | CIF | Br2 Nb Se2 | C 1 2/m 1 | 6.662; 11.677; 7.083 90; 111.82; 90 | 511.5 | Grenouilleau, P.; Meerschaut, A. NbSe2Br2 : Etude cristallographique des phases "basse temperature" et "haute temperature" European Journal of Solid State and Inorganic Chemistry, 1988, 25, 77-89 |
| 4030182 | CIF | Cu14 Se10 Tl5 | C 1 2/m 1 | 18.097; 3.9582; 18.118 90; 116.089; 90 | 1165.6 | Berger, Rolf; Meerschaut, Alain The crystal structure of Tl5Cu14Se10 European Journal of Solid State and Inorganic Chemistry, 1988, 25, 279-288 |
| 4030187 | CIF | In6 S19 Sn8 | C 1 2/m 1 | 29.253; 3.819; 15.528 90; 121.85; 90 | 1473.5 | Adenis, Claire; Ilivier-Fourcade, Josette; Jumas, Jean-Claude; Philippot, Etienne Structural study of In6Sn8S19, a mixed valence tin phase in the ternary system In-Sn-S European Journal of Solid State and Inorganic Chemistry, 1988, 25, 413-423 |
| 4030195 | CIF | Cu Nb13 O33 | C 1 2/m 1 | 22.485; 3.818; 15.378 90; 91.25; 90 | 1319.9 | Cotton, F. Albert; Sandor, Robert B. W. Synthesis and crystal structure of CuNb13O33 and phase analysis of the Cu-NbO2 system European Journal of Solid State and Inorganic Chemistry, 1988, 25, 637-644 |
| 4030245 | CIF | H4 La N O6 | C 1 2/m 1 | 21.192; 3.9899; 6.4048 90; 114.15; 90 | 494.15 | Louer, M.; Louer, D.; Lopez Delgado, A.; Garcia Martinez, O. The structures of lanthanum hydroxide nitrates investigated by the Rietveld profile refinement technique European Journal of Solid State and Inorganic Chemistry, 1989, 26, 241-253 |
| 4030925 | CIF | Cu8 K3 Se6 | C 1 2/m 1 | 17.982; 3.9788; 10.064 90; 103.43; 90 | 700.36 | Näther, C.; Röhnert, D.; Bensch, W. Synthesis, crystal structure and low-temperature X-ray investigations of K~3~Cu~8~Se~6~ European Journal of Solid State and Inorganic Chemistry, 1998, 35, 565-577 |
| 4030926 | CIF | Cu8 K3 Se6 | C 1 2/m 1 | 17.879; 3.958; 10.029 90; 103.95; 90 | 688.8 | Näther, C.; Röhnert, D.; Bensch, W. Synthesis, crystal structure and low-temperature X-ray investigations of K~3~Cu~8~Se~6~ European Journal of Solid State and Inorganic Chemistry, 1998, 35, 565-577 |
| 4030937 | CIF | C5 H8 Fe N6 O5 Sr | C 1 2/m 1 | 19.816; 7.563; 8.406 90; 99.02; 90 | 1244 | Chevrier, G.; Navaza, A.; Kiat, J.-M.; Güida, J. A. Neutron structure of strontium pentacyanonitrosylferrate(II) tetrahydrate below the 153 K phase transition European Journal of Solid State and Inorganic Chemistry, 1998, 35, 667-678 |
| 4031175 | CIF | Dy H6 O6 P3 | C 1 2/m 1 | 14.368; 5.734; 12.123 90; 122.33; 90 | 843.94 | Seddon, J.A.; Platt, A.W.G.; Kresinski, R.A.; Jackson, A.R.W. Complexes of the lanthanide metals (La - Nd, Sm - Lu) with hypophosphite and phosphite ligands: crystal structures of (Ce (H2 P O2)3 (H2 O)), (Dy (H2 P O2)3) and (Pr (H2 P O2) (H P O3) (H2 O)) . (H2 O) Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1999, 1999, 2189-2196 |
| 4031226 | CIF | Cl2 H13 N5 O2 Ru | C 1 2/m 1 | 11.422; 7.365; 11.157 90; 109.09; 90 | 886.945 | Bottomley, F. Reinvestigation of the crystal and molecular structures of pentaamminenitrosylruthenium trichloride hydrate and trans-tetra-amminehydroxonitrosylruthenium dichloride Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1974, 1974, 1600-1605 |
| 4031234 | CIF | Cl5 Cs2 H8 O4 V | C 1 2/m 1 | 17.745; 6.183; 7.019 90; 106.4; 90 | 738.773 | Donovan, W.F.; Smith, P.W.; Podmore, L.P. Crystal and molecular structures of aquahalogenovanadium (III) complexes. Part II. X-ray crystal structure of dicesium trans-tetrakisaquadichlorovanadium(III) trichloride, and the isomorphous bromo-compound Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1976, 1976, 1741-1743 |
| 4031235 | CIF | Br5 Cs2 H8 O4 V | C 1 2/m 1 | 18.484; 6.423; 7.266 90; 106.1; 90 | 828.806 | Donovan, W.F.; Podmore, L.P.; Smith, P.W. Crystal and molecular structures of aquahalogenovanadium (III) complexes. Part II. X-ray crystal structure of dicesium trans-tetrakisaquadichlorovanadium(III) trichloride, and the isomorphous bromo-compound Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1976, 1976, 1741-1743 |
| 4031247 | CIF | Cr Pb2 | C 1 2/m 1 | 14.01; 5.68; 7.15 90; 115.1; 90 | 515.245 | Ruckman, J.C.; Morrison, R.T.W.; Buck, R.H. Structure and lattice parameters of dilead(II) pentaoxochromate(VI) Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1972, 1972, 426-427 |
| 4031301 | CIF HKL | C4 H3 Cs N2 O2 S | C 1 2/m 1 | 7.96089; 11.84737; 7.73174 90; 101.285; 90 | 715.13 | Golovnev, Nikolay; Molokeev, Maxim Crystal structures of cesium and rubidium 2-thiobarbiturates Russian Journal of Inorganic Chemistry, 2014, 59, 943 |
| 4031302 | CIF HKL | C4 H3 N2 O2 Rb S | C 1 2/m 1 | 7.63691; 11.76903; 7.55678 90; 100.212; 90 | 668.44 | Golovnev, Nikolay; Molokeev, Maxim Crystal structures of cesium and rubidium 2-thiobarbiturates Russian Journal of Inorganic Chemistry, 2014, 59, 943 |
| 4031407 | CIF | Ag3.88 Al3.88 H31.44 O87.72 Si32.12 | C 1 2/m 1 | 17.736; 18.104; 7.447 90; 116.2; 90 | 2145.5 | Bresciani-Pahor, N.; Calligaris, M.; Nardin, G.; Randaccio, L. Location of cations in metal ion-exchanged zeolites. Part 2. Crystal structures of a fully silver-exchanged heulandite Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1981, 1981, 2288-2291 |
| 4031449 | CIF | H12 N6 Ni O4 | C 1 2/m 1 | 10.628; 6.887; 5.974 90; 114.8; 90 | 396.941 | Figgis, B.N.; Williams, G.A.; Reynolds, P.A.; White, A.H.; Wright, S. The magnetic, spectral and structural properties of trans-tetra-amminedinitronickel(II) Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1981, 1981, 997-1003 |
| 4031508 | CIF | Br8 Cl Re3 | C 1 2/m 1 | 15.56; 10.5; 9.37 90; 116.833; 90 | 1366.04 | Bush, M.A.; Druce, P.M.; Lappert, M.F. Preparation of tris-mue-chloro-hexabromo-triangulo-trirhenium(III)(3 Re-Re) and Re3 I9, halogen exchange reactions with Re3 Cl9 and the crystal structure of a sublimation procuct of tris-mue-chloro-hexabromo-triangulo-trirhemium Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1972, 1972, 500-503 |
| 4031564 | CIF | Mo S Sb2 | C 1 2/m 1 | 36.157; 6.3823; 6.5379 90; 95.093; 90 | 1502.76 | Lee, C.-S.; Kleinke, H. Synthesis, structure and thermoelectric properties of the new antimonide sulfide Mo Sb2 S European Journal of Inorganic Chemistry, 2002, 2002, 591-596 |
| 4031608 | CIF | Ba11 O66.5 Ti28 | C 1 2/m 1 | 23.321; 11.384; 9.847 90; 90.09; 90 | 2614.24 | Vanderah, T.A.; Ramirez, A.P.; Siegrist, T.; Roth, R.S.; Geyer, R.G. Crystal Structure and Properties of Ba11 Fe Ti27 O66.5 European Journal of Inorganic Chemistry, 2004, 2004, 2434-2441 |
| 4031782 | CIF | Pd3 Ta4 Te16 | C 1 2/m 1 | 21.276; 3.735; 17.687 90; 120.75; 90 | 1207.91 | Mar, A.; Ibers, J.A. Synthesis, crystal structure and electrical conductivity of a new layered ternary telluride Ta4 Pd3 Te16 Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1991, 1991, 639-641 |
| 4032447 | CIF | F4 K Sc | C 1 2/m 1 | 15.696; 4.044; 13.273 90; 107.81; 90 | 802.1 | Champarnaud-Mesjard, J. C.; Frit, B. KScF4 : a new ABX4 octahedral cis-trans layered structure European Journal of Solid State Inorganic Chemistry, 1992, 29, 161-170 |
| 4034028 | CIF | C7 H12 Cd N4 O7 | C 1 2/m 1 | 10.1187; 12.067; 10.3366 90; 94.727; 90 | 1257.83 | Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines. The Journal of organic chemistry, 2019, 84, 9957-9964 |
| 4035950 | CIF | C419 H96 Lu8 N8 S13 | C 1 2/m 1 | 26.199; 11.22; 20.553 90; 107.986; 90 | 5746 | Shen, Wangqiang; Yang, Le; Wu, Yongbo; Bao, Lipiao; Li, Ying; Jin, Peng; Fang, Hongyun; Xie, Yunpeng; Lu, Xing Reactions between N-Heterocyclic Carbene and Lutetium-Metallofullerenes: High Regioselectivity Directed by Electronic Effect in Addition to Steric Hindrance. The Journal of organic chemistry, 2019, 84, 606-612 |
| 4036316 | CIF | C76 H64 Cl24 O12 | C 1 2/m 1 | 17.898; 25.162; 20.571 90; 107.287; 90 | 8845.7 | Reinhard, Dennis; Rominger, Frank; Mastalerz, Michael Synthesis of Triphenylene-Based Triptycenes via Suzuki-Miyaura Cross-Coupling and Subsequent Scholl Reaction. The Journal of organic chemistry, 2015, 80, 9342-9348 |
| 4036641 | CIF | C8 H8 O Se2 | C 1 2/m 1 | 14.8825; 7.0999; 8.2818 90; 95.735; 90 | 870.71 | Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J. Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination. The Journal of organic chemistry, 2016, 81, 3214-3226 |
| 4038046 | CIF | C12 H2 F2 N4 | C 1 2/m 1 | 10.122; 5.827; 8.812 90; 106.72; 90 | 497.8 | Liu, En-Chih; Topczewski, Joseph J. Gram-Scale Synthesis of 2,5-Difluoro-7,7,8,8-tetracyanoquinodimethane (F<sub>2</sub>-TCNQ). The Journal of organic chemistry, 2020, 85, 4560-4564 |
| 4038117 | CIF | C13 H6 Cl2 O2 | C 1 2/m 1 | 13.357; 12.364; 7.308 90; 118.676; 90 | 1058.9 | Wössner, Jan S; Esser, Birgit Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties. The Journal of organic chemistry, 2020, 85, 5048-5057 |
| 4038125 | CIF | C132 H204 Cl36 Cu12 N48 O49.66 | C 1 2/m 1 | 26.405; 29.054; 13.1898 90; 105.232; 90 | 9763.4 | Yepremyan, Akop; Mekhail, Magy A.; Niebuhr, Brian P.; Pota, Kristof; Sadagopan, Nishanth; Schwartz, Timothy M.; Green, Kayla N. Synthesis of 12-Membered Tetra-aza Macrocyclic Pyridinophanes Bearing Electron-Withdrawing Groups. The Journal of organic chemistry, 2020, 85, 4988-4998 |
| 4039013 | CIF HKL | C22 H18 Cl4 O4 | C 1 2/m 1 | 19.7264; 6.2955; 8.8067 90; 110.054; 90 | 1027.37 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
| 4039014 | CIF HKL | C22 H18 Br4 O4 | C 1 2/m 1 | 19.8053; 6.3558; 9.0498 90; 109.266; 90 | 1075.38 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
| 4039017 | CIF | C6 H7 Cl2 N3 Pt S | C 1 2/m 1 | 16.2764; 6.7492; 8.8152 90; 95.47; 90 | 963.96 | Elena Fern'andez-Delgado; Samuel Estirado; Javier Espino; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Ana B. Rodríguez Moratinos; Jos'e A. Pariente Influence of ligand lipophilicity in Pt(II) complexes on their antiproliferative and apoptotic activities in tumour cell lines Journal of Inorganic Biochemistry, 2022, 227, 111688 |
| 4060561 | CIF | C54 H78 Br2 Hg Ni2 P4 | C 1 2/m 1 | 13.985; 13.971; 14.582 90; 95.79; 90 | 2834.7 | Rowshan Ara Begum; Paul R. Sharp Nickel and Platinum 1,2-Dibromoacenaphthylene Chemistry Organometallics, 2005 |
| 4060816 | CIF | C33 H50 Ir3 S4 | C 1 2/m 1 | 17.522; 19.011; 12.912 90; 122.465; 90 | 3628.8 | Takagi, Fusao; Seino, Hidetake; Mizobe, Yasushi; Hidai, Masanobu Synthesis of a New Tetrakis(hydrosulfido) Diiridium Complex and Its Conversion into Homo- and Heterometallic Sulfido-Hydrosulfido Clusters Organometallics, 2002, 21, 694-699 |
| 4061020 | CIF | C14 H18 Cl4 Ga2 N2 | C 1 2/m 1 | 17.1994; 7.3604; 8.6468 90; 117.019; 90 | 975.17 | Nogai, Stefan D.; Schmidbaur, Hubert Dehydrogenative Ga‒Ga Coupling and Hydrogallation in Gallium Hydride Complexes of 3,5-Dimethylpyridine Organometallics, 2004, 23, 5877-5880 |
| 4061167 | CIF | C82 H130 Cl4 Mn3 N4 O6 | C 1 2/m 1 | 17.238; 18.411; 14.729 90; 113.947; 90 | 4272.3 | Chai, Jianfang; Zhu, Hongping; Roesky, Herbert W.; Yang, Zhi; Jancik, Vojtech; Herbst-Irmer, Regine; Schmidt, Hans-Georg; Noltemeyer, Mathias Synthesis and Structure of Allyl and Alkynyl Complexes of Manganese(II) Supported by a Bulky β-Diketiminate Ligand Organometallics, 2004, 23, 5003-5006 |
| 4061515 | CIF | C60 H88 O20 P4 Sn6 | C 1 2/m 1 | 16.9713; 15.6743; 14.2523 90; 105.555; 90 | 3652.4 | Organometallics, 2005 |
| 4061849 | CIF | C36 H52 N2 Ru3 | C 1 2/m 1 | 17.5985; 18.3863; 11.1112 90; 103.589; 90 | 3494.6 | Yumiko Nakajima; Hiroharu Suzuk Nitrogen-Nitrogen Bond Cleavage of Hydrazine Derivatives by Trinuclear Pentahydride Complex of Ruthenium, (Cp'Ru)3(m-H)3(m3-H)2 (Cp' = h5-C5Me5) Organometallics, 2003 |
| 4061850 | CIF | C36 H53 N Ru3 | C 1 2/m 1 | 17.489; 18.61; 11.046 90; 106.16; 90 | 3453 | Yumiko Nakajima; Hiroharu Suzuk Nitrogen-Nitrogen Bond Cleavage of Hydrazine Derivatives by Trinuclear Pentahydride Complex of Ruthenium, (Cp'Ru)3(m-H)3(m3-H)2 (Cp' = h5-C5Me5) Organometallics, 2003 |
| 4062482 | CIF | C91 H131 Li3 O10 Ti2 | C 1 2/m 1 | 19.453; 29.861; 15.26 90; 95.55; 90 | 8822 | Organometallics, 2003 |
| 4062483 | CIF | C94 H129 Li3 O9 Ti2 | C 1 2/m 1 | 19.516; 30.1; 15.339 90; 96.149; 90 | 8959 | Organometallics, 2003 |
| 4062502 | CIF | C35 H53 N4 Na Ti3 | C 1 2/m 1 | 18.382; 18.604; 11.582 90; 103.69; 90 | 3848 | Organometallics, 2004 |
| 4062983 | CIF | C15 H15 Cl2 Mn Mo O5 S2 | C 1 2/m 1 | 14.1188; 10.4957; 13.9087 90; 93.618; 90 | 2057 | Organometallics, 2004 |
| 4062986 | CIF | C16 H13 Cl2 Mn Mo O5 S2 | C 1 2/m 1 | 14.3204; 10.2443; 14.1102 90; 93.845; 90 | 2065.3 | Organometallics, 2004 |
| 4063097 | CIF | C22 H34 F12 N2 P2 Ru2 S2 | C 1 2/m 1 | 18.059; 11.458; 17.789 90; 115.86; 90 | 3312.3 | Eva Becker; Kurt Mereiter; Roland Schmid; Karl Kirchner Facile S-S Bond Activation of Alkyl and Aryl Disulfides by [RuCp(CH3CN)3]+ - Formation of Dinuclear Ru(III)-Ru(III) Complexes with Bridging Thiolate Ligands Organometallics, 2004 |
| 4063153 | CIF | C88 H94 O16 Si8 | C 1 2/m 1 | 24.866; 13.099; 16.06 90; 122.575; 90 | 4407.9 | Tsutsui, Shinobu; Sakamoto, Kenkichi Preparation, Structures, and Theoretical Calculations of Novel Silacalixarene Derivatives: Silacalix[4]quinone and Silacalix[4]hydroquinone Octamethyl Ether Organometallics, 2004 |
| 4064246 | CIF | C74 H118 Y6 | C 1 2/m 1 | 19.503; 17.833; 12.969 90; 123.307; 90 | 3769.7 | Shima, Takanori; Nishiura, Masayoshi; Hou, Zhaomin Tetra-, Penta-, and Hexanuclear Yttrium Hydride Clusters from Half-Sandwich Bis(aminobenzyl) Complexes Containing Various Cyclopentadienyl Ligands Organometallics, 2011, 30, 2513 |
| 4064279 | CIF | C6 H8 Ag5 N3 O11 S2 | C 1 2/m 1 | 11.761; 23.561; 5.7475 90; 91.35; 90 | 1592.2 | Deng, Zhao-Peng; Li, Ming-Shuai; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui; Gao, Shan Rare Organosilver(I) Coordination Polymers Constructed from Hydroxyl-Substituted Benzenesulfonic Acids: Syntheses, Structures and Characterizations Organometallics, 2011, 30, 1961 |
| 4064297 | CIF | C10 H30 O3 Si7 | C 1 2/m 1 | 15.649; 13.917; 10.222 90; 97.91; 90 | 2205 | Stueger, Harald; Albering, Joerg; Flock, Michaela; Fuerpass, Gottfried; Mitterfellner, Thomas cis,cis-1,3,5-Trihydroxynonamethylcyclohexasilane: A Cyclopolysilane with Unusual Properties Organometallics, 2011, 30, 2531 |
| 4064402 | CIF | C11 H14 Br K N4 O2 Pt | C 1 2/m 1 | 10.441; 17.943; 8.157 90; 103.6; 90 | 1485.3 | Meyer, Anke; Unger, Yvonne; Poethig, Alexander; Strassner, Thomas Platinum(II) Complexes with Tetradentate Dianionic (O∧C*∧C*∧O)-Ligands Organometallics, 2011, 30, 2980 |
| 4064460 | CIF | C24 H41 B11 Cr O9 Sn | C 1 2/m 1 | 35.0401; 11.83; 24.8469 90; 134.141; 90 | 7391.3 | Dostálová, Romana; Dostál, Libor; Růžička, Aleš; Jambor, Roman Chromiumpentacarbonyl-Coordinated Organotin(II) Cation Organometallics, 2011, 30, 2405 |
| 4064539 | CIF | C51 H50 O1.5 P2 | C 1 2/m 1 | 19.9597; 21.6837; 8.7475 90; 90.172; 90 | 3785.9 | Tauchert, Michael E.; Warth, Daniel C. M.; Braun, Sebastian M.; Gruber, Irene; Ziesak, Alexandra; Rominger, Frank; Hofmann, Peter Highly Efficient Nickel-Catalyzed 2-Methyl-3-butenenitrile Isomerization: Applications and Mechanistic Studies Employing the TTP Ligand Family Organometallics, 2011, 30, 2790 |
| 4064782 | CIF | C8 H20 Al2 B12 Cl12 | C 1 2/m 1 | 11.721; 13.85; 9.0489 90; 94.75; 90 | 1463.9 | Kessler, Mathias; Knapp, Carsten; Zogaj, Ardiana Cationic Dialkyl Metal Compounds of Group 13 Elements (E = Al, Ga, In) Stabilized by the Weakly Coordinating Dianion [B12Cl12]2‒ Organometallics, 2011, 30, 3786 |
| 4064890 | CIF | C44 H56 Fe2 N2 P2 | C 1 2/m 1 | 9.3305; 14.5318; 14.1202 90; 102.134; 90 | 1871.77 | Tian, Rongqiang; Mathey, François Phosphaferrocene Analogues of Calixpyrroles Organometallics, 2011, 30, 3472 |
| 4066163 | CIF | C40 H54 Ru3 | C 1 2/m 1 | 17.418; 18.059; 11.485 90; 103.33; 90 | 3515 | Takao, Toshiro; Moriya, Makoto; Kajigaya, Mana; Suzuki, Hiroharu Direct Arylation of a Cluster-Bound Alkyne Ligand with Benzene† Organometallics, 2010, 29, 4770 |
| 4066164 | CIF | C39 H56 Ru3 | C 1 2/m 1 | 17.417; 18.432; 11.512 90; 104.445; 90 | 3578.9 | Takao, Toshiro; Moriya, Makoto; Kajigaya, Mana; Suzuki, Hiroharu Direct Arylation of a Cluster-Bound Alkyne Ligand with Benzene† Organometallics, 2010, 29, 4770 |
| 4066476 | CIF | C75 H97 Br3 Fe N4 | C 1 2/m 1 | 25.818; 17.062; 20.125 90; 127.016; 90 | 7078.6 | Gao, Huan-huan; Yan, Chun-hui; Tao, Xue-Ping; Xia, Ying; Sun, Hong-Mei; Shen, Qi; Zhang, Yong Synthesis of Anionic Iron(II) Complex Bearing an N-Heterocyclic Carbene Ligand and Its Catalysis for Aryl Grignard Cross-Coupling of Alkyl Halides Organometallics, 2010, 29, 4189 |
| 4067078 | CIF | C13 H17 I N2 Pt | C 1 2/m 1 | 16.2374; 13.2518; 7.8193 90; 117.454; 90 | 1493 | Nabavizadeh, S. Masoud; Habibzadeh, Sepideh; Rashidi, Mehdi; Puddephatt, Richard J. Oxidative Addition of Ethyl Iodide to a Dimethylplatinum(II) Complex: Unusually Large Kinetic Isotope Effects and Their Transition-State Implications Organometallics, 2010, 29, 6359 |
| 4067090 | CIF | C35 H53 Cu N4 Ti3 | C 1 2/m 1 | 17.563; 18.771; 11.6089 90; 106.806; 90 | 3663.7 | Martínez-Espada, Noelia; Mena, Miguel; Mosquera, Marta E. G.; Pérez-Redondo, Adrián; Yélamos, Carlos Cyclopentadienyl and Alkynyl Copper(I) Derivatives with the [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand Organometallics, 2010, 29, 6732 |
| 4067152 | CIF | C40.5 H44 Cl F6 O6 P Ru2 S4 | C 1 2/m 1 | 18.0789; 12.7091; 20.9807 90; 109.723; 90 | 4537.9 | Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki Preparation of Thiolate-Bridged Dinuclear Ruthenium Complexes Bearing a Phosphine Ligand and Application to Propargylic Reduction of Propargylic Alcohols with 2-Propanol Organometallics, 2010, 29, 5994 |
| 4067332 | CIF | C50 H41 Ir N4 O | C 1 2/m 1 | 29.141; 16.9288; 10.1654 90; 109.59; 90 | 4724.5 | Cheung, Chi Wai; Fung, Hong Sang; Lee, Siu Yin; Qian, Ying Ying; Chan, Yun Wai; Chan, Kin Shing Reactivity Studies of Iridium(III) Porphyrins with Methanol in Alkaline Media Organometallics, 2010, 29, 1343 |
| 4067553 | CIF | C26 H30 Mg N12 | C 1 2/m 1 | 35.6839; 13.3948; 8.075 90; 94.3134; 90 | 3848.7 | Cushion, Michael G.; Meyer, Jens; Heath, Alex; Schwarz, Andrew D.; Fernández, Ignacio; Breher, Frank; Mountford, Philip Syntheses and Structural Diversity of Group 2 and Group 12 Tris(pyrazolyl)methaneand Zwitterionic Tris(pyrazolyl)methanideCompounds Organometallics, 2010, 29, 1174 |
| 4067771 | CIF | C220 H276 O20 Si16 | C 1 2/m 1 | 22.911; 30.535; 18.608 90; 124.05; 90 | 10786 | Kawakami, Yoshiteru; Sakuma, Yoshinobu; Wakuda, Takashi; Nakai, Tatsuya; Shirasaka, Masayoshi; Kabe, Yoshio Hydrogen-Bonding 3D Networks by Polyhedral Organosilanols: Selective Inclusion of Hydrocarbons in Open Frameworks Organometallics, 2010, 29, 3281 |
| 4067772 | CIF | C298 H274 O20 Si16 | C 1 2/m 1 | 26.089; 29.765; 20.783 90; 127.19; 90 | 12857 | Kawakami, Yoshiteru; Sakuma, Yoshinobu; Wakuda, Takashi; Nakai, Tatsuya; Shirasaka, Masayoshi; Kabe, Yoshio Hydrogen-Bonding 3D Networks by Polyhedral Organosilanols: Selective Inclusion of Hydrocarbons in Open Frameworks Organometallics, 2010, 29, 3281 |
| 4067875 | CIF | C19 H29.5 B Br Cr N4 O0.25 S2 | C 1 2/m 1 | 28.3957; 11.6257; 20.392 90; 131.628; 90 | 5031.8 | Kuan, Seah Ling; Leong, Weng Kee; Webster, Richard D.; Goh, Lai Yoong Mixed-Sandwich Cp*Cr Complexes Containing Poly(methimazolyl)borates (Cp* = C5Me5): Syntheses and Structural and Electrochemical Studies Organometallics, 2012, 31, 273 |
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