Information card for entry 4082490

Structure parameters

• Formula: C57 H48 Cl N2 O P3 Ru Si
• Calculated formula: C57 H48 Cl N2 O P3 Ru Si
• SMILES: Cl[Ru]12([P](CN3[Si]2(N(C[P]1(c1ccccc1)c1ccccc1)c1c3cccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: N-Heterocyclic Silyl Pincer Ligands
• Authors of publication: Dixon, Lily S. H.; Hill, Anthony F.; Sinha, Arup; Ward, Jas S.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 653
• a: 11.6868 ± 0.0002 Å
• b: 14.0096 ± 0.0002 Å
• c: 15.4974 ± 0.0003 Å
• α: 80.3054 ± 0.0012°
• β: 75.3846 ± 0.0008°
• γ: 82.5635 ± 0.0011°
• Cell volume: 2410.11 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections: 0.1013
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No