Information card for entry 2200861

Structure parameters

• Chemical name: Octacarbonyl-μ-N,N-diethyldithiocarbamato-μ-dicyclohexylphosphido- dirhenium
• Formula: C25 H32 N O8 P Re2 S2
• Calculated formula: C25 H32 N O8 P Re2 S2
• SMILES: [Re]1(SC(=[S][Re]([P]1(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])(C#[O])C#[O])N(CC)CC)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Octacarbonyl-μ-dicyclohexylphosphido-μ-<i>N,N</i>-diethyldithiocarbamato-dirhenium
• Authors of publication: Egold, Hans; Flörke, Ulrich; Klose, Stefanie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: m116 - m117
• a: 9.218 ± 0.002 Å
• b: 11.891 ± 0.002 Å
• c: 14.624 ± 0.002 Å
• α: 96.4 ± 0.01°
• β: 99.89 ± 0.02°
• γ: 102.06 ± 0.02°
• Cell volume: 1526.1 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes