Information card for entry 2011127

Structure parameters

• Chemical name: nonacarbonyl-1κ^3^C,2κ^3^C,3κ^3^C-dicyclohexylphosphine-3κP-μ-hydrido- 1:2κ^2^H-μ-phenylthio-1:2κ^2^S-triangulo-triosmium
• Formula: C27 H29 O9 Os3 P S
• Calculated formula: C27 H29 O9 Os3 P S
• SMILES: [Os]1([Os]23([S]([Os]12([H]3)(C#[O])(C#[O])C#[O])c1ccccc1)(C#[O])(C#[O])C#[O])([PH](C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])C#[O]
• Title of publication: Hydrido-sulfido-bridged triangular Os~3~ cluster compounds with different phosphine ligand substitution patterns
• Authors of publication: Flörke, Ulrich; Egold, Hans; Schraa, Markus
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 760 - 762
• a: 20.893 ± 0.003 Å
• b: 9.01 ± 0.002 Å
• c: 33.399 ± 0.005 Å
• α: 90°
• β: 91.04 ± 0.01°
• γ: 90°
• Cell volume: 6286.2 ± 1.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.103
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes