Information card for entry 4328835

Structure parameters

• Formula: C7 H62 N24 Ni3 O10 Re12 S17
• Calculated formula: C7 H61.92 N24 Ni3 O9.96 Re12 S17
• Title of publication: Selective Two-Step Oxidation of μ2-S Ligands in Trigonal Prismatic Unit {Re3(μ6-C)(μ2-S)3Re3} of the Bioctahedral Cluster Anion [Re12CS17(CN)6]6-
• Authors of publication: Yuri V. Mironov; Yakov M. Gayfulin; Svetlana G. Kozlova; Anton I. Smolentsev; Maria S. Tarasenko; Anton S. Nizovtsev; Vladimir E. Fedorov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4359 - 4367
• a: 12.1632 ± 0.0006 Å
• b: 12.1632 ± 0.0006 Å
• c: 79.544 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10191.4 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.389
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No