Information card for entry 4065811

Structure parameters

• Formula: C46.5 H86 Cl4 N2 P2 Ru
• Calculated formula: C46.5 H86 Cl4 N2 P2 Ru
• SMILES: [RuH](Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)=C1N(C=CN1C(C)C)C(C)C.ClCCl.ClCCl
• 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: 10.1582 ± 0.0003 Å
• b: 13.6688 ± 0.0004 Å
• c: 18.9367 ± 0.0004 Å
• α: 96.311 ± 0.002°
• β: 90.1073 ± 0.0018°
• γ: 105.557 ± 0.0014°
• Cell volume: 2516.34 ± 0.12 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections: 0.1484
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0326
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No