Crystallography Open Database
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Searching space group like 'R -3 :R'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4100207 | CIF | C28 H37 N1.5 O U0.33 | R -3 :R | 16.1204; 16.1204; 16.1204 73.85; 73.85; 73.85 | 3772.4 | Journal of the American Chemical Society, 2005 |
| 4101778 | CIF | C293 H221 Cl93 F36 N24 O12 P6 Ru6 Se24 | R -3 :R | 21.8438; 21.8438; 21.8438 99.34; 99.34; 99.34 | 9956 | Alexander Laskavy; Linda J. W. Shimon; Leonid Konstantinovski; Mark A. Iron; Ronny Neumann Activation of Molecular Oxygen by a Dioxygenase Pathway by a Ruthenium Bis-bipyridine Compound with a Proximal Selenium Site Journal of the American Chemical Society, 2010, 132, 517-523 |
| 4105365 | CIF | C103 H90 Au6 B2 F8 N6 O3 P6 | R -3 :R | 14.99; 14.99; 14.99 63.763; 63.763; 63.763 | 2579.48 | Jian-Hua Jia; Quan-Ming Wang Intensely Luminescent Gold(I)-Silver(I) Cluster with Hypercoordinated Carbon Journal of the American Chemical Society, 2009, 131, 16634-16635 |
| 4110981 | CIF | C34 H36 Al N O4 | R -3 :R | 11.7638; 11.7638; 11.7638 76.338; 76.338; 76.338 | 1508.8 | Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade Facile Synthesis of Monomeric Alumatranes Journal of the American Chemical Society, 2006, 128, 13727-13735 |
| 4111868 | CIF | C60 H18 N12 O6 Re6 S36 Se8 | R -3 :R | 15.0192; 15.0192; 15.0192 61.465; 61.465; 61.465 | 2474.5 | Stéphane A. Baudron; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Vladimir Laukhin; Roberto Melzi; Pawel Wzietek; Denis Jérome; Pascale Auban-Senzier; Sylvain Ravy (EDT-TTF-CONH2)6[Re6Se8(CN)6], a Metallic Kagome-Type Organic-Inorganic Hybrid Compound: Electronic Instability, Molecular Motion, and Charge Localization Journal of the American Chemical Society, 2005, 127, 11785-11797 |
| 4115531 | CIF | C25.33333 H16.33333 Br N4 O8 | R -3 :R | 15.437; 15.437; 15.437 93.02; 93.02; 93.02 | 3662.8 | Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society, 2001, 123, 4432-4445 |
| 4115532 | CIF | C26 H18.33 N4.33 O8.33 | R -3 :R | 15.427; 15.427; 15.427 91.73; 91.73; 91.73 | 3666.4 | Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society, 2001, 123, 4432-4445 |
| 4116278 | CIF | C12 H14 I6 N2 Pb2 | R -3 :R | 12.3729; 12.3729; 12.3729 79.96; 79.96; 79.96 | 1816.23 | Zhongjia Tang; Arnold M. Guloy A Methylviologen Lead(II) Iodide: Novel [PbI3-]∞Chains with Mixed Octahedral and Trigonal Prismatic Coordination Journal of the American Chemical Society, 1999, 121, 452-453 |
| 4120388 | CIF | C15 H19 N3 O4 | R -3 :R | 15.5832; 15.5832; 15.5832 113.28; 113.28; 113.28 | 2416.9 | Jaeyune Ryu; Jaesung Kwak; Kwangmin Shin; Donggun Lee; Sukbok Chang Ir(III)-Catalyzed Mild C-H Amidation of Arenes and Alkenes: An Efficient Usage of Acyl Azides as the Nitrogen Source Journal of the American Chemical Society, 2013, 135, 12861-12868 |
| 4312885 | CIF | C20 H19 N8 O9 Tb | R -3 :R | 17.275; 17.275; 17.275 99.268; 99.268; 99.268 | 4928 | Xiao-Ping Yang; Bei-Sheng Kang; Wai-Kwok Wong; Cheng-Yong Su; Han-Qin Liu Syntheses, Crystal Structures, and Luminescent Properties of Lanthanide Complexes with Tripodal Ligands Bearing Benzimidazole and Pyridine Groups Inorganic Chemistry, 2003, 42, 169-179 |
| 4317573 | CIF | C47 H59 Al4 F27 O22 Si3 | R -3 :R | 18.313; 18.313; 18.313 53.472; 53.472; 53.472 | 3679.3 | Hagen Hatop; Marilena Ferbinteanu; Herbert W. Roesky; Fanica Cimpoesu; Marcus Schiefer; Hans-Georg Schmidt; Mathias Noltemeyer Lightest Member of the Basic Carboxylate Structural Pattern: [Al3(μ3-O)(μ-O2CCF3)6(THF)3][(Me3Si)3CAl(O2CCF3)3].C7H8 Inorganic Chemistry, 2002, 41, 1022-1025 |
| 4319704 | CIF | C8 H28 N4 Ni O9 V2 | R -3 :R | 14.4133; 14.4133; 14.4133 116.236; 116.236; 116.236 | 1469.76 | Junghwan Do; Allan J. Jacobson Nickel Vanadate Nanotubes: Synthesis and Crystal Structure of [Ni(C8H22N4)](VO3)2.3H2O Inorganic Chemistry, 2001, 40, 2468-2469 |
| 4320295 | CIF | C30 H44 B2 N12 Sm | R -3 :R | 10.612; 10.612; 10.612 63.3; 63.3; 63.3 | 906.8 | Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes Inorganic Chemistry, 2001, 40, 5106-5116 |
| 4320296 | CIF | C30 H44 B2 N12 Yb | R -3 :R | 10.51; 10.51; 10.51 63.52; 63.52; 63.52 | 884.8 | Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes Inorganic Chemistry, 2001, 40, 5106-5116 |
| 4320297 | CIF | C30 H44 B2 Eu N12 | R -3 :R | 10.581; 10.581; 10.581 63.5; 63.5; 63.5 | 902.5 | Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes Inorganic Chemistry, 2001, 40, 5106-5116 |
| 4322910 | CIF | C117 H159 Cl3 Mn7 O38 | R -3 :R | 14.439; 14.439; 14.439 86.34; 86.34; 86.34 | 2992.6 | Gian Luca Abbati; Andrea Cornia; Antonio C. Fabretti; Andrea Caneschi; Dante Gatteschi Structure and Magnetic Properties of a Mixed-Valence Heptanuclear Manganese Cluster Inorganic Chemistry, 1998, 37, 3759-3766 |
| 4322912 | CIF | C109 H127 Cl3 Mn7 O30 | R -3 :R | 14.576; 14.576; 14.576 85.773; 85.773; 85.773 | 3072.7 | Gian Luca Abbati; Andrea Cornia; Antonio C. Fabretti; Andrea Caneschi; Dante Gatteschi Structure and Magnetic Properties of a Mixed-Valence Heptanuclear Manganese Cluster Inorganic Chemistry, 1998, 37, 3759-3766 |
| 4328767 | CIF | C72 H30 N32.11 Np12 O159 P24 Rb3.89 | R -3 :R | 17.1998; 17.1998; 17.1998 97.14; 97.14; 97.14 | 4958.9 | Juan Diwu; Shuao Wang; Thomas E. Albrecht-Schmitt Periodic Trends in Hexanuclear Actinide Clusters Inorganic Chemistry, 2012, 51, 4088-4093 |
| 4328768 | CIF | C36 H24 Cs4 N16 O79 P12 U6 | R -3 :R | 17.253; 17.253; 17.253 97.55; 97.55; 97.55 | 4988.9 | Juan Diwu; Shuao Wang; Thomas E. Albrecht-Schmitt Periodic Trends in Hexanuclear Actinide Clusters Inorganic Chemistry, 2012, 51, 4088-4093 |
| 4334229 | CIF | C60 H42 N12 O6 Os0 Re6 S36 Se8 | R -3 :R | 15.017; 15.017; 15.017 61.366; 61.366; 61.366 | 2468.1 | Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6] Inorganic Chemistry, 2013, 52, 3326-3333 |
| 4334230 | CIF | C60 H42 N12 O6 Os0 Re6 S36 Se8 | R -3 :R | 14.9978; 14.9978; 14.9978 61.178; 61.178; 61.178 | 2448.7 | Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6] Inorganic Chemistry, 2013, 52, 3326-3333 |
| 4334232 | CIF | C60 H42 N12 O6 Re6 S36 Se8 | R -3 :R | 15.0012; 15.0012; 15.0012 61.409; 61.409; 61.409 | 2462.61 | Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6] Inorganic Chemistry, 2013, 52, 3326-3333 |
| 4334233 | CIF | C60 H42 N12 O6 Re6 S36 Se8 | R -3 :R | 14.8819; 14.8819; 14.8819 61.078; 61.078; 61.078 | 2387.12 | Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6] Inorganic Chemistry, 2013, 52, 3326-3333 |
| 4338650 | CIF | C120 H108 Cd6 Co3 N45 O53 | R -3 :R | 22.953; 22.953; 22.953 110.933; 110.933; 110.933 | 8769 | Mishra, Anurag; Ali, Afsar; Upreti, Shailesh; Whittingham, M. Stanley; Gupta, Rajeev Cobalt Complex as Building Blocks: Synthesis, Characterization, and Catalytic Applications of {Cd2±-Co3±-Cd2+} and {Hg2±-Co3±-Hg2+} Heterobimetallic Complexes Inorganic chemistry, 2009, 48, 5234-5243 |
| 4343593 | CIF | Ce0.82 Mo6 Se8 | R -3 :R | 6.7407; 6.7407; 6.7407 88.83; 88.83; 88.83 | 306.088 | le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A. Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K Inorganic Chemistry, 2000, 39, 1100-1105 |
| 4343594 | CIF | Ce0.92 Mo6 Se8 | R -3 :R | 6.7473; 6.7473; 6.7473 88.69; 88.69; 88.69 | 306.941 | le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A. Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K Inorganic Chemistry, 2000, 39, 1100-1105 |
| 4343595 | CIF | Mo6 Pr0.86 Se8 | R -3 :R | 6.7385; 6.7385; 6.7385 88.81; 88.81; 88.81 | 305.782 | le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A. Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K Inorganic Chemistry, 2000, 39, 1100-1105 |
| 4343596 | CIF | Mo6 Nd0.85 Se8 | R -3 :R | 6.7286; 6.7286; 6.7286 88.85; 88.85; 88.85 | 304.449 | le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A. Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K Inorganic Chemistry, 2000, 39, 1100-1105 |
| 4343597 | CIF | Mo6 Se8 Sm0.87 | R -3 :R | 6.7182; 6.7182; 6.7182 88.956; 88.956; 88.956 | 303.071 | le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A. Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K Inorganic Chemistry, 2000, 39, 1100-1105 |
| 4350720 | CIF | C111.5 H138.5 Cl1.5 F6 Fe6 Li O33 P | R -3 :R | 14.523; 14.523; 14.523 84.35; 84.35; 84.35 | 3021.3 | Abbati, Gian Luca; Cornia, Andrea; Fabretti, Antonio C.; Malavasi, Wanda; Schenetti, Luisa; Caneschi, Andrea; Gatteschi, Dante Modulated Magnetic Coupling in Alkoxoiron(III) Rings by Host−Guest Interactions with Alkali Metal Cations Inorganic Chemistry, 1997, 36, 6443 |
| 4503065 | CIF | C10 H12 Ag F3 N4 O3 S | R -3 :R | 17.6984; 17.6984; 17.6984 116.66; 116.66; 116.66 | 2572.6 | Jin, Chuan-Ming; Wu, Ling-Yan; Lu, Huang; Xu, Yan Two Distinct Supramolecular Motifs from Bis(2-methylimidazo-1-yl) Methane: An Infinite [n]Catenane and A Discrete M6 Metal-Organic Framework Crystal Growth & Design, 2008, 8, 215 |
| 4504089 | CIF | C28 H29.67 N11 O7.33 Zn | R -3 :R | 16.931; 16.931; 16.931 95.34; 95.34; 95.34 | 4786 | Chi, Yingnan; Huang, Kunlin; Zhang, Shaowen; Cui, Fengyun; Xu, Yanqing; Hu, Changwen Self-Assembly of a CsCl-like 3D Supramolecular Network from [Zn6(HL)6(H2L)6]6+Metallamacrocycles and (H2O)20Clusters (H2L = 4-(2-Pyridyl)-6-(4-pyridyl)-2-aminopyrimidine) Crystal Growth & Design, 2007, 7, 2449 |
| 5910000 | CIF | Mg O3 Ti | R -3 :R | 5.54; 5.54; 5.54 54.65; 54.65; 54.65 | 104.499 | Wyckoff, R. W. G. Pages 55 & 61 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold Publishing Corporation, INC,Camden,N. J. in 1935 The second edition supplement of The Structure of Crystals, 1935, 55-61 |
| 7003611 | CIF | C78 H210 Ag Ge18 Li O6 Si24 | R -3 :R | 15.6343; 15.6343; 15.6343 97.049; 97.049; 97.049 | 3727 | Schenk, Christian; Henke, Florian; Santiso-Quiñones, Gustavo; Krossing, Ingo; Schnepf, Andreas [Si(SiMe3)3]6Ge18M (M = Cu, Ag, Au): metalloid cluster compounds as unusual building blocks for a supramolecular chemistry Dalton Transactions, 2008, 4436-4441 |
| 7003612 | CIF | C78 H210 Cu Ge18 Li O6 Si24 | R -3 :R | 15.6548; 15.6548; 15.6548 97.309; 97.309; 97.309 | 3734.2 | Schenk, Christian; Henke, Florian; Santiso-Quiñones, Gustavo; Krossing, Ingo; Schnepf, Andreas [Si(SiMe3)3]6Ge18M (M = Cu, Ag, Au): metalloid cluster compounds as unusual building blocks for a supramolecular chemistry Dalton Transactions, 2008, 4436-4441 |
| 7009121 | CIF | C12 H24.6 Mo2 N2 O0.3 S7 | R -3 :R | 8.3292; 8.3292; 8.3292 77.833; 77.833; 77.833 | 543.74 | Davies, Sian C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger Molybdenum and tungsten complexes of the N(CH2CH2S)33− (NS3) ligand with oxide, sulfide, diazenide, hydrazide and nitrosyl co-ligands Journal of the Chemical Society, Dalton Transactions, 2000, 719 |
| 7010804 | CIF | C56 H54 Cl2 N6 O2.2 P2.33 Ru | R -3 :R | 20.022; 20.022; 20.022 90.73; 90.73; 90.73 | 8024 | Field, Leslie D.; Messerle, Barbara A.; Soler, Linnea; Buys, Irmi E.; Hambley, Trevor W. Polypyrazolylmethane complexes of ruthenium Journal of the Chemical Society, Dalton Transactions, 2001, 1959-1965 |
| 7011606 | CIF | C42 H48 Cl2 N12 O8 Zn | R -3 :R | 13.5818; 13.5818; 13.5818 46.194; 46.194; 46.194 | 1190.71 | Fan, Jian; Sui, Bin; Okamura, Taka-aki; Sun, Wei-Yin; Tang, Wen-Xia; Ueyama, Norikazu Synthesis, structures and properties of two-dimensional honeycomb and stepwise networks from self-assembly of tripodal ligand 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene with metal saltsElectronic supplementary information (ESI) available: hydrogen bond network indicated by dashed lines in 2 (Fig. S1), coordination environment of Cd2B (minor component) (Fig. S2), FT-IR spectra of anion exchange (Fig. S3) and excitation and emission spectra of 2 (Fig. S4). See http://www.rsc.org/suppdata/dt/b2/b202138b/ Journal of the Chemical Society, Dalton Transactions, 2002, 3868 |
| 7015112 | CIF | C15 H30 Cu3 I N6 O S6 W | R -3 :R | 12.8515; 12.8515; 12.8515 61.399; 61.399; 61.399 | 1548 | Beheshti, Azizollah; Clegg, William; Khorramdin, Rahman; Nobakht, Valiollah; Russo, Luca Synthesis and structural characterization of mixed-metal complexes of Cu(I) with MOS3 cores (M = Mo, W) and of an unusual polymeric AgI/mercaptoimidazole complex with five different Ag(I) coordination environments. Dalton transactions (Cambridge, England : 2003), 2011, 40, 2815-2821 |
| 7017243 | CIF | C37.25 H31.38 Cl3 N0.13 S6 Sb2 | R -3 :R | 21.0255; 21.0255; 21.0255 69.14; 69.14; 69.14 | 7831.4 | Fontenot, Sean A.; Cangelosi, Virginia M.; Pitt, Melanie A. W.; Sather, Aaron C.; Zakharov, Lev N.; Berryman, Orion B.; Johnson, Darren W. Design, synthesis and characterization of self-assembled As(2)L(3) and Sb(2)L(3) cryptands. Dalton transactions (Cambridge, England : 2003), 2011, 40, 12125-12131 |
| 7017661 | CIF | C19 H18 N2 S Si Te | R -3 :R | 18.327; 18.327; 18.327 116.627; 116.627; 116.627 | 2870 | Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand. Dalton transactions (Cambridge, England : 2003), 2012, 41, 2148-2162 |
| 7022863 | CIF | C52 H79 Cl3 N2 O3 Pd | R -3 :R | 22.469; 22.469; 22.469 115.655; 115.655; 115.655 | 5952 | Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A. From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers. Dalton transactions (Cambridge, England : 2003), 2013, 42, 7710-7723 |
| 7027802 | CIF | C30 H30 Cl Fe N O6 P2 Pd Si | R -3 :R | 25.113; 25.113; 25.113 118.39; 118.39; 118.39 | 5176 | Braunstein, Pierre; Durand, Jérôme; Kickelbick, Guido; Knorr, Michael; Morise, Xavier; Pugin, Raphael; Tiripicchio, Antonio; Ugozzoli, Franco Hydrocarbyl derivatives of dppm- or dppa-bridged alkoxysilyl heterobimetallic Fe‒Pd complexes and CO insertion reactions. Crystal structures of [(OC)3{(MeO)3Si}Fe(μ-dppm)Pd(8-mq)] (dppm = Ph2PCH2PPh2), [(OC)3Fe{μ-Si(OMe)2(OMe)}(μ-dppa)PdCl] and [(OC)3Fe{μ-Si(OMe)2(OMe)}(μ-dppa)PdPh] (dppa = Ph2PNHPPh2) † Journal of the Chemical Society, Dalton Transactions, 1999, 4175 |
| 7029900 | CIF | C69 H60 N3 O9 Tb | R -3 :R | 18.865; 18.865; 18.865 117.22; 117.22; 117.22 | 2856 | Raphael, Shyni; Reddy, M. L. P.; Vasudevan, Kalyan V.; Cowley, Alan H. Synthesis, crystal structure and photophysical properties of lanthanide coordination polymers of 4-[4-(9H-carbazol-9-yl)butoxy]benzoate: the effect of bidentate nitrogen donors on luminescence. Dalton transactions (Cambridge, England : 2003), 2012, 41, 14671-14682 |
| 7030482 | CIF | C22 H29.08 Cl Cu N2 O1.04 | R -3 :R | 15.8718; 15.8718; 15.8718 106.639; 106.639; 106.639 | 3362.1 | Barwiolek, Magdalena; Szlyk, Edward; Berg, Andrzej; Wojtczak, Andrzej; Muziol, Tadeusz; Jezierska, Julia Structural studies of copper(ii) complexes with 2-(2-aminoethyl)pyridine derived Schiff bases and application as precursors of thin organic-inorganic layers. Dalton transactions (Cambridge, England : 2003), 2014, 43, 9924-9933 |
| 7033000 | CIF | C81 H96 Mo N4 O3 | R -3 :R | 17.2078; 17.2078; 17.2078 60.523; 60.523; 60.523 | 3645.55 | Marshall-Roth, Travis; Brown, Seth N. Redox activity and π bonding in a tripodal seven-coordinate molybdenum(VI) tris(amidophenolate). Dalton transactions (Cambridge, England : 2003), 2015, 44, 677-685 |
| 7043180 | CIF | C192 H248.6 Ce21 N21 O118.8 | R -3 :R | 20.83; 20.83; 20.83 106.55; 106.55; 106.55 | 7617 | Canaj, Angelos; Siczek, Milosz; Lis, Tadeusz; Murrie, Mark; Brechin, Euan K.; Milios, Constantinos J. A [Ce21] Keplerate Dalton Trans., 2017 |
| 7050538 | CIF | C25 H19 N O2 | R -3 :R | 18.949; 18.949; 18.949 117.25; 117.25; 117.25 | 2879 | Gisbert Grossmann; Marek J. Potrzebowski; Sebastian Olejniczak; Natasza E. Ziółkowska; Grzegorz D. Bujacz; Wlodzimierz Ciesielski; Wiktor Prezdo; Valerii Nazarov; Vladislav Golovko Structural studies of N-(2'-substituted phenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximides by X-ray diffraction and NMR spectroscopy—proofs for CH/π interactions in liquid and solid phases New J. Chem., 2003, 27, 1095-1101 |
| 7051019 | CIF | Cl9 H4 K O2 Re6 Se5 | R -3 :R | 8.892; 8.892; 8.892 65.63; 65.63; 65.63 | 557.92 | Santiago Uriel; Kamal Boubekeur; Patrick Batail; Jesus Orduna; André Perrin Inertness of the [Re6Se5Cl3]5+ cluster core to substitution by OH− in organic solutions: synthesis, structural and liquid secondary ion mass spectroscopy characterization of K(H2O)2[Re6Se5Cl9] and (n-Bu4N)[Re6Se5Cl9] and the crystal structure of (n-Bu4N)2[Re6Se6Cl8] New J. Chem., 2001, 25, 737-740 |
| 7052044 | CIF | C40 H72 Cl2 O4 Yb2 | R -3 :R | 16.2836; 16.2836; 16.2836 109.604; 109.604; 109.604 | 3307.3 | Marc D. Walter; Dirk Bentz; Frank Weber; Oliver Schmitt; Gotthelf Wolmershäuser; Helmut Sitzmann Cation size dependent reactivity of lanthanide trihalides with bulky alkylcyclopentadienyl anions New Journal of Chemistry, 2007, 31, 305 |
| 7053784 | CIF | C64 H102 O17 | R -3 :R | 21.5048; 21.5048; 21.5048 91.042; 91.042; 91.042 | 9940 | Kulikov, Oleg V.; Rath, Nigam P.; Zhou, Dan; Carasel, I. Alexandru; Gokel, George W. Guest molecule entrapment by both capsule and hydrocarbon sidechains in self-assembled pyrogallol[4]arenes New Journal of Chemistry, 2009, 33, 1563 |
| 7054241 | CIF | C25 H19 N O2 | R -3 :R | 18.949; 18.949; 18.949 117.25; 117.25; 117.25 | 2879 | Seisenbaeva, Gulaim A.; Gohil, Suresh; Jansson, Kjell; Herbst, Konrad; Brorson, Michael; Kessler, Vadim G. Solution interaction of O-donor ligand metal complexes with thiocarbonyl compounds?a new general route to metal sulfide materials New Journal of Chemistry, 2003, 27, 1059 |
| 7104061 | CIF | C198 H290 N12 O86 P12 | R -3 :R | 19.175; 19.175; 19.175 106.039; 106.039; 106.039 | 6019.1 | Coleman, Anthony W.; Silva, Eric Da; Nouar, Farid; Nierlich, Martine; Navaza, Alda The structure of a self-assembled calixarene aqua-channel system Chemical Communications (Cambridge, United Kingdom), 2003, 826-827 |
| 7204583 | CIF | C44 H8.67 F20 N4 O0.33 Pt | R -3 :R | 14.2727; 14.2727; 14.2727 88.309; 88.309; 88.309 | 2903.8 | Che, Chi-Ming; Hou, Yuan-Jun; Chan, Michael C. W.; Guo, Jianhua; Liu, Yu; Wang, Yue [meso-Tetrakis(pentafluorophenyl)porphyrinato]platinum(ii) as an efficient, oxidation-resistant red phosphor: spectroscopic properties and applications in organic light-emitting diodesElectronic supplementary information available: details of photoluminescence measurements, transient absorption spectra of PtF20TPP, photophysical properties of PtF20TPP in different solvents, EL spectra and performances of OLEDs using PtF20TPP as emitters at various doping levels and crystallographic data for PtF20TPP. See http://www.rsc.org/suppdata/jm/b2/b212204a/ Journal of Materials Chemistry, 2003, 13, 1362 |
| 7206325 | CIF | C12 H66 As2 N12 O72 W18 Zn6 | R -3 :R | 13.175; 13.175; 13.175 104; 104; 104 | 2040.5 | Niu, Jing-Yang; Ma, Xiang; Zhao, Jun-Wei; Ma, Peng-Tao; Zhang, Chao; Wang, Jing-Ping A novel organic‒inorganic hybrid turbine-shaped hexa-Zn sandwiched tungstoarsenate(iii) CrystEngComm, 2011, 13, 4834 |
| 7234492 | CIF | C18 H12 Br15 Mo6 Se12 | R -3 :R | 11.0988; 11.0988; 11.0988 102.058; 102.058; 102.058 | 1261.12 | Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-] Journal of Materials Chemistry C, 2015, 3, 11046-11054 |
| 7234493 | CIF | C18 H12 Br15 Mo6 Se12 | R -3 :R | 11.1579; 11.1579; 11.1579 101.8; 101.8; 101.8 | 1286.32 | Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-] Journal of Materials Chemistry C, 2015, 3, 11046-11054 |
| 7234495 | CIF | C18 H12 Cl15 Mo6 Se12 | R -3 :R | 10.8505; 10.8505; 10.8505 102.632; 102.632; 102.632 | 1167.76 | Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-] Journal of Materials Chemistry C, 2015, 3, 11046-11054 |
| 7234496 | CIF | C18 H12 Cl15 Mo6 Se12 | R -3 :R | 10.908; 10.908; 10.908 102.348; 102.348; 102.348 | 1191.82 | Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-] Journal of Materials Chemistry C, 2015, 3, 11046-11054 |
| 7234497 | CIF | C18 H12 Br15 Mo6 S12 | R -3 :R | 10.8797; 10.8797; 10.8797 101.159; 101.159; 101.159 | 1203.35 | Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-] Journal of Materials Chemistry C, 2015, 3, 11046-11054 |
| 7234498 | CIF | C18 H12 Br15 Mo6 S12 | R -3 :R | 10.9429; 10.9429; 10.9429 100.915; 100.915; 100.915 | 1228.45 | Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-] Journal of Materials Chemistry C, 2015, 3, 11046-11054 |
| 7705397 | CIF | C36.16 H38.32 Cl0.32 Cu N2 O4 | R -3 :R | 21.012; 21.012; 21.012 115.759; 115.759; 115.759 | 4814 | Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F. Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols. Dalton transactions (Cambridge, England : 2003), 2020, 49, 12990-13002 |
| 9000195 | CIF | H36 Mg7 Na12 O67 S13 | R -3 :R | 11.769; 11.769; 11.769 106.5; 106.5; 106.5 | 1375.67 | Fang, J. H.; Robinson, P. D. Crystal structures and mineral chemistry of double-salt hydrates: II. The crystal structure of loeweite American Mineralogist, 1970, 55, 378-386 |
| 9000524 | CIF | Ce0.05 Fe6.698 La0.05 Mn0.7 O38 Pb0.1 Sr0.7 Ti13.602 | R -3 :R | 9.148; 9.148; 9.148 69.078; 69.078; 69.078 | 644.398 | Grey, I. E.; Lloyd, D. J.; White, J. S. The structure of crichtonite and its relationship to senaite American Mineralogist, 1976, 61, 1203-1212 |
| 9000598 | CIF | Al0.384 Ca0.72 Cr2.238 Fe3.43 La0.33 Mg0.92 O38 Ti12.474 U0.05 V0.21 Zr0.58 | R -3 :R | 9.117; 9.117; 9.117 69.07; 69.07; 69.07 | 637.788 | Gatehouse, B. M.; Grey, I. E.; Campbell, I. H.; Kelly, P. R. The crystal structure of loveringite - a new member of the crichtonite group American Mineralogist, 1978, 63, 28-36 |
| 9000736 | CIF | Ca0.2 Cr0.21 Fe6.152 La0.91 Mg0.24 O38 Sr0.09 Ti12.672 U0.33 Y0.3 | R -3 :R | 9.19; 9.19; 9.19 68.73; 68.73; 68.73 | 649.693 | Gatehouse, B. M.; Grey, I. E.; Kelly, P. R. The crystal structure of davidite American Mineralogist, 1979, 64, 1010-1017 |
| 9001873 | CIF | Ba0.12 Ce0.06 Fe8.06 La0.12 Mn0.12 O38 Pb0.24 Sr0.42 Ti12.66 U0.3 Y0.3 | R -3 :R | 9.197; 9.197; 9.197 68.75; 68.75; 68.75 | 651.388 | Orlandi, P.; Pasero, M.; Duchi, G.; Olmi, F. Dessauite, (Sr,Pb)(Y,U)(Ti,Fe)20O38, a new mineral of the crichtonite group from Buca della Vena mine, Tuscany, Italy American Mineralogist, 1997, 82, 807-811 |
| 9001948 | CIF | Na8 O18 Si7 | R -3 :R | 7.18; 7.18; 7.18 87.26; 87.26; 87.26 | 368.916 | Fleet, M. E. Sodium heptasilicate: A high-pressure silicate with six-membered rings of tetrahedra interconnected by SiO6 octahedra: (Na8Si[Si6O18]) American Mineralogist, 1998, 83, 618-624 |
| 9004125 | CIF | Fe2.16 K0.15 Mn Na0.7 O38 Pb0.15 Ti15.84 Zn2 | R -3 :R | 9.152; 9.152; 9.152 68.99; 68.99; 68.99 | 644.342 | Grey, I. E.; Gatehouse, B. M. The crystal structure of landauite, Na[MnZn2(Ti,Fe)6Ti12]O38 The Canadian Mineralogist, 1978, 16, 63-68 |
| 9005642 | CIF | Ce0.12 Fe8 Mn0.34 O38 Pb0.6 Sr0.3 Ti12 U0.06 Y0.48 | R -3 :R | 9.186; 9.186; 9.186 68.82; 68.82; 68.82 | 649.784 | Orlandi, P.; Pasero, M.; Rotiroti, N.; Olmi, F.; Demartin, F.; Moelo, Y. Gramaccioliite-(Y), a new mineral of the crichtonite group from Stura Valley, Piedmont, Italy Locality: the gneiss of the Hercynian Massif of Argentera at Sambuco, Italy European Journal of Mineralogy, 2004, 16, 171-175 |
| 9007057 | CIF | Cu H2 O4 Si | R -3 :R | 8.819; 8.819; 8.819 111.7; 111.7; 111.7 | 479.521 | Belokoneva, E. L.; Gubina, Y. K.; Forsyth, J. B.; Brown, P. J. The charge-density distribution, its multipole refinement and the antiferromagnetic structure of dioptase, Cu6[Si6O18].6H2O Physics and Chemistry of Minerals, 2002, 29, 430-438 |
| 9007734 | CIF | Eu Mo6 S8 | R -3 :R | 6.5378; 6.5378; 6.5378 88.809; 88.809; 88.809 | 279.265 | Kubel, F.; Yvon, K. Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 112 K Acta Crystallographica, Section C, 1990, 46, 181-186 |
| 9007736 | CIF | Ba Mo6 S8 | R -3 :R | 6.6441; 6.6441; 6.6441 88.562; 88.562; 88.562 | 293.025 | Kubel, F.; Yvon, K. Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 177 K Acta Crystallographica, Section C, 1990, 46, 181-186 |
| 9008043 | CIF | Bi2 S Te2 | R -3 :R | 10.33; 10.33; 10.33 24.17; 24.17; 24.17 | 162.41 | Harker, D. The crystal structure of the mineral tetradymite, Bi2Te2S Zeitschrift fur Kristallographie, 1934, 89, 175-181 |
| 9008098 | CIF | As I3 | R -3 :R | 8.269; 8.269; 8.269 51.683; 51.683; 51.685 | 321.561 | Trotter, J. The crystal structure of arsenic triiodide, AsI3 Zeitschrift fur Kristallographie, 1965, 121, 81-86 |
| 9008145 | CIF | Rh3 Se8 | R -3 :R | 5.9648; 5.9648; 5.9648 90.73; 90.73; 90.73 | 212.169 | Hohnke, D.; Parthe, E. The crystal structure of pyrite-related Rh3Se8 Zeitschrift fur Kristallographie, 1968, 127, 164-172 |
| 9009770 | CIF | Fe O | R -3 :R | 6.132; 6.132; 6.132 59.34; 59.34; 59.34 | 160.589 | Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C. On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Note: low-temperature polymorph Sample: Three-Phase Mixture FeO, T = 12 K Journal of Solid State Chemistry, 1996, 124, 52-57 |
| 9009771 | CIF | Fe0.925 O | R -3 :R | 6.073; 6.073; 6.073 59.92; 59.92; 59.92 | 158.091 | Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C. On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Note: low-temperature polymorph Sample: Single-Phase Fe0.925O, T = 12 K Journal of Solid State Chemistry, 1996, 124, 52-57 |
| 9009955 | CIF | Al2 H4 Na1.862 O13.667 Si4 | R -3 :R | 11.909; 11.909; 11.909 109.51; 109.51; 109.51 | 1298.31 | Yokomori, Y.; Idaka, S. The crystal structure of analcime Microporous and Mesoporous Materials, 1998, 21, 365-370 |
| 9010496 | CIF | Al6 Ca1.617 K1.842 O24 Si6 | R -3 :R | 9.411; 9.411; 9.411 91.48; 91.48; 91.48 | 832.654 | Fischer, R. X.; Kahlenberg, V.; Lengauer, C. L.; Tillmanns, E. Thermal behavior and structural transformation in the chabazite-type zeolite willhendersonite, KCaAl3Si3O12*5H2O Note: T = 423K American Mineralogist, 2008, 93, 1317-1325 |
| 9011164 | CIF | Fe6.34 Mn O38 Pb0.83 Ti13.66 | R -3 :R | 9.172; 9.172; 9.172 69.02; 69.02; 69.02 | 648.885 | Grey, I. E.; Lloyd, D. J. The crystal structure of senaite Acta Crystallographica, Section B, 1976, 32, 1509-1513 |
| 9011341 | CIF | Ba0.14 Ca0.3 Cr3.1 Fe2.2 K0.62 Mg1.333 Na0.14 Nb0.233 O38 Sr0.1 Ti12.9 V0.233 Zr0.7 | R -3 :R | 9.119; 9.119; 9.119 69.24; 69.24; 69.24 | 639.924 | Gatehouse, B. M.; Grey, I. E.; Smyth, J. R. Structure refinement of mathiasite, (K0.62Na0.14Ba0.14Sr0.10) [Ti12.90Cr3.10Mg1.53Fe2.15Zr0.67Ca0.29V0.36]O38 locality: peridotite nodules, Bultfonten kimblerlite, South africa Acta Crystallographica, Section C, 1983, 39, 421-422 |
| 9014631 | CIF | Ge O4 Zn2 | R -3 :R | 8.836; 8.836; 8.836 107.7; 107.7; 107.7 | 563.199 | Hang, C.; Simonov, M. A.; Belov, N. V. Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4] Soviet Physics Crystallography, 1970, 15, 387-390 |
| 9014765 | CIF | O4 Si Zn2 | R -3 :R | 8.628; 8.628; 8.628 107.87; 107.87; 107.87 | 521.689 | Hang, C.; Simonov, M. A.; Belov, N. V. Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4] Soviet Physics Crystallography, 1970, 15, 387-390 |
| 9015045 | CIF | H2 O | R -3 :R | 7.78; 7.78; 7.78 113.1; 113.1; 113.1 | 304.25 | Kamb, B. Ice II: A proton-ordered form of ice Note: T = -75 C, P = 0.3 GPa Acta Crystallographica, 1964, 17, 1437-1449 |
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