Information card for entry 4313253

Structure parameters

• Formula: C13 H21 Re S3
• Calculated formula: C13 H21 Re S3
• SMILES: [Re]12345(=S)(SCCS1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)CC
• Title of publication: Syntheses of a Cp'ReS Derivative and More Complex Products
• Authors of publication: S. H. Pawlicki; B. C. Noll; J. A. Kanney; M. Rakowski DuBois
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1556 - 1563
• a: 9.1831 ± 0.0008 Å
• b: 9.6456 ± 0.0009 Å
• c: 9.6471 ± 0.0009 Å
• α: 77.748 ± 0.002°
• β: 74.05 ± 0.002°
• γ: 69.677 ± 0.002°
• Cell volume: 763.98 ± 0.12 ų
• Cell temperature: 142 ± 2 K
• Ambient diffraction temperature: 142 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No