Information card for entry 2011128

Structure parameters

• Chemical name: nonacarbonyl-1κ^3^C,2κ^2^C,3κ^4^C-dicyclohexylphosphine-2κP-μ-hydrido- 1:2κ^2^H-μ-(2-naphthylthio)-1:2κ^2^S-triangulo-triosmium
• Formula: C31 H31 O9 Os3 P S
• Calculated formula: C31 H31 O9 Os3 P S
• SMILES: [Os]1([Os]2([H]3)([S]([Os]123([PH](C1CCCCC1)C1CCCCC1)(C#[O])C#[O])c1cc2ccccc2cc1)(C#[O])(C#[O])C#[O])(C#[O])(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: 10.214 ± 0.002 Å
• b: 12.997 ± 0.002 Å
• c: 14.409 ± 0.001 Å
• α: 69.16 ± 0.01°
• β: 80.58 ± 0.01°
• γ: 76.62 ± 0.01°
• Cell volume: 1732.2 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes