Information card for entry 8107532

Structure parameters

• Formula: C39 H68 Br2 Cl2 O2 Os P2
• Calculated formula: C39 H68 Br2 Cl2 O2 Os P2
• SMILES: C(#[O])[Os](C#[O])([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(Br)Br.C(Cl)Cl
• Title of publication: Crystal structure of dibromo-dicarbonyl-bis(tricyclohexylphosphine)-osmium(II) dichloromethane solvate, C38H66Br2O2OsP2
• Authors of publication: Monareng, Jubrey M.; Clayton, Hadley S.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 689 - 692
• a: 10.4091 ± 0.0002 Å
• b: 10.6868 ± 0.0002 Å
• c: 21.3533 ± 0.0004 Å
• α: 84.658 ± 0.001°
• β: 89.764 ± 0.001°
• γ: 64.918 ± 0.001°
• Cell volume: 2140.36 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0267
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No