Information card for entry 2010650

Structure parameters

• Chemical name: Hexacarbonyl-bis(dicyclohexylphosphane)-bis(μ-naphthyl- sulfido)-dirhenium
• Formula: C50 H60 O6 P2 Re2 S2
• Calculated formula: C50 H60 O6 P2 Re2 S2
• SMILES: C(#[O])[Re]1(C#[O])([PH](C2CCCCC2)C2CCCCC2)([S](c2cc3ccccc3cc2)[Re](C#[O])(C#[O])(C#[O])([PH](C2CCCCC2)C2CCCCC2)[S]1c1cc2ccccc2cc1)C#[O]
• Title of publication: Sulfido-bridged rhenium‒carbonyl complexes with planar and folded Re~2~S~2~ cores
• Authors of publication: Flörke, Ulrich; Egold, Hans; Schwarze, Detlev
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 184 - 186
• a: 24.561 ± 0.003 Å
• b: 9.378 ± 0.003 Å
• c: 23.722 ± 0.003 Å
• α: 90°
• β: 112.63 ± 0.01°
• γ: 90°
• Cell volume: 5043.3 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1351
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes