Information card for entry 4070572

Structure parameters

• Formula: C61 H54 Cl2 F3 N2 O9 Os P4 Rh S
• Calculated formula: C61 H54 Cl2 F3 N2 O9 Os P4 Rh S
• SMILES: [Os]123([P](C[P]([Rh]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([N]2=NC(=C3O)C(=O)OCC)C#[O])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F.ClCCCl
• Title of publication: Coordination and Activation of Diazoalkanes in the Presence of Rh/Ru and Rh/Os Metal Combinations
• Authors of publication: Samant, Rahul G.; Graham, Todd W.; Rowsell, Bryan D.; McDonald, Robert; Cowie, Martin
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3070
• a: 11.3899 ± 0.0007 Å
• b: 15.0631 ± 0.0009 Å
• c: 18.4369 ± 0.0011 Å
• α: 87.7008 ± 0.0012°
• β: 76.4194 ± 0.0011°
• γ: 88.4252 ± 0.0011°
• Cell volume: 3071.7 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No