Information card for entry 4078467

Structure parameters

• Formula: C33 H62 Cl2 O4 Os P2
• Calculated formula: C33 H62 Cl2 O4 Os P2
• SMILES: [Os]1(Cl)(Cl)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[CH2]=[C]1=CCC(C/C=C/C=C/C)(C(=O)OC)C(=O)OC
• Title of publication: Reactions of an Osmium(IV) Complex with Allenedienes: Coordination and Intramolecular Cycloadditions
• Authors of publication: Collado, Alba; Esteruelas, Miguel A.; Gulías, Moisés; Mascareñas, José L.; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4450
• a: 17.1473 ± 0.0011 Å
• b: 13.2268 ± 0.0008 Å
• c: 17.7132 ± 0.0011 Å
• α: 90°
• β: 109.102 ± 0.001°
• γ: 90°
• Cell volume: 3796.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No