Information card for entry 4073791

Structure parameters

• Formula: C46 H39 Cl O Os P2
• Calculated formula: C46 H39 Cl O Os P2
• SMILES: [Os]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([CH2]=[CH]1C2c1ccccc1)C#[O]
• Title of publication: Ligand Effect on the Insertion Reactions of Allenes with MHCl(CO)(PPh3)3and MHCl(PPh3)3(M = Ru, Os)
• Authors of publication: Bai, Tao; Zhu, Jun; Xue, Peng; Sung, Herman Ho-Yung; Williams, Ian Duncan; Ma, Shengming; Lin, Zhenyang; Jia, Guochen
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 5581
• a: 15.3034 ± 0.0009 Å
• b: 10.0384 ± 0.0006 Å
• c: 24.8593 ± 0.0014 Å
• α: 90°
• β: 106.271 ± 0.001°
• γ: 90°
• Cell volume: 3666 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.0423
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No