Information card for entry 7104665

Structure parameters

• Formula: C12 H17 Re S5
• Calculated formula: C12 H17 Re S5
• SMILES: [Re]12(=S)(SCC[S]1CC(C)(C)S2)Sc1ccccc1
• Title of publication: Subtle chirality in oxo- and sulfidorhenium(v) complexes.
• Authors of publication: De Montigny, Frederic; Guy, Laure; Pilet, Guillaume; Vanthuyne, Nicolas; Roussel, Christian; Lombardi, Rosina; Freedman, Teresa B; Nafie, Laurence A; Crassous, Jeanne
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 32
• Pages of publication: 4841 - 4843
• a: 11.4981 ± 0.0003 Å
• b: 16.0118 ± 0.0005 Å
• c: 18.253 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3360.47 ± 0.16 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections: 0.1211
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No