Information card for entry 4313940

Structure parameters

• Formula: C70 H144 N10 Re6 S14
• Calculated formula: C70 N10 Re6 S14
• SMILES: C(=N[Re]1234567[S]8[Re]9%10%11%12%135(N=C=S)[S]5[Re]%14%15%16%17%18%11(N=C=S)[S]%11[Re]%19%20%214%16([S]1[Re]68%12%17%20(N=C=S)([S]9%14)[S]%15%19)([S]2[Re]7%135%18%11%21(N=C=S)[S]3%10)N=C=S)=S.C(CCC)[N+](CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Preparation, Structures, and Redox and Emission Characteristics of the Isothiocyanate Complexes of Hexarhenium(III) Clusters [Re6(μ3-E)8(NCS)6]4- (E = S, Se)
• Authors of publication: Takashi Yoshimura; Zhong-Ning Chen; Ai Itasaka; Masaaki Abe; Yoichi Sasaki; Shoji Ishizaka; Noboru Kitamura; Spartak S. Yarovoi; Sergey F. Solodovnikov; Vladimir E. Fedorov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4857 - 4863
• a: 14.464 ± 0.007 Å
• b: 22.059 ± 0.006 Å
• c: 16.642 ± 0.008 Å
• α: 90°
• β: 113.62 ± 0.03°
• γ: 90°
• Cell volume: 4865 ± 4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Goodness-of-fit parameter for significantly intense reflections: 2.518
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No