Information card for entry 7702711

Structure parameters

• Chemical name: μ-hydrido-μ-naphthylthiolato-ax-acetonitrile- heptacarbonyl-dirhenium
• Formula: C19 H11 N O7 Re2 S
• Calculated formula: C19 H10 N O7 Re2 S
• Title of publication: Substitution reactivity of the hydrido sulfido bridged dirhenium complex [Re2(µ-H)(µ-Snaph)(CO)8] (naph = 2-naphthyl)
• Authors of publication: Egold, Hans; Schwarze, Detlef; Flörke, Ulrich
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 1078
• a: 9.845 ± 0.004 Å
• b: 13.269 ± 0.004 Å
• c: 16.632 ± 0.006 Å
• α: 90°
• β: 102.11 ± 0.02°
• γ: 90°
• Cell volume: 2124.3 ± 1.3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections: 0.1156
• Weighted residual factors for significantly intense reflections: 0.1043
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No