Information card for entry 7050406

Structure parameters

• Formula: C22 H56 Cl N P2 Ru Si2
• Calculated formula: C22 H56 Cl N P2 Ru Si2
• SMILES: [RuH3]12(Cl)[P](C[Si]([NH]2[Si](C)(C)C[P]1(C(C)(C)C)C(C)(C)C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Amido/phosphine pincer hydrides of ruthenium
• Authors of publication: Lori A. Watson; Joseph N. Coalter III; Oleg Ozerov; Maren Pink; John C. Huffman; Kenneth G. Caulton
• Journal of publication: New J. Chem.
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 263 - 273
• a: 14.8336 ± 0.0003 Å
• b: 13.018 ± 0.0003 Å
• c: 31.9522 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6170.1 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No