Information card for entry 4065810

Structure parameters

• Formula: C61 H102 Cl N2 P2 Ru Si
• Calculated formula: C61 H102 Cl N2 P2 Ru Si
• SMILES: [RuH](=[Si]1N(C=CN1C(C)(C)C)C(C)(C)C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)Cl.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Five-Coordinate Hydrido−Ruthenium(II) Complexes Featuring N-Heterocyclic Silylene and Carbene Ligands
• Authors of publication: Cade, Ian A.; Hill, Anthony F.; Kämpfe, Alexander; Wagler, Jörg
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 18
• Pages of publication: 4012
• a: 10.5987 ± 0.0001 Å
• b: 14.3344 ± 0.0001 Å
• c: 20.7699 ± 0.0003 Å
• α: 94.7153 ± 0.0007°
• β: 100.634 ± 0.0007°
• γ: 101.96 ± 0.0007°
• Cell volume: 3010.07 ± 0.06 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections: 0.1799
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8641
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No