Information card for entry 4115673

Structure parameters

• Formula: C43 H46 Cl4 N2 O2 P2 Ru2
• Calculated formula: C43 H46 Cl4 N2 O2 P2 Ru2
• SMILES: [Ru]123([Cl][Ru]4([Cl]1)(Cl)([P](c1c([N]4(C)C)cccc1)(c1ccccc1)c1ccccc1)O3)(Cl)[P](c1c([N]2(C)C)cccc1)(c1ccccc1)c1ccccc1.O=C(C)C
• Title of publication: The Nitrous Oxide Complex, RuCl2(η1-N2O)(P-N)(PPh3) (P-N = [o-(N,N-Dimethylamino)phenyl]diphenylphosphine); Low Temperature Conversion of N2O to N2 and O2
• Authors of publication: Craig B. Pamplin; Erin S. F. Ma; Nasser Safari; Steven J. Rettig; Brian R. James
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 8596 - 8597
• a: 18.1176 ± 0.0014 Å
• b: 9.5777 ± 0.0011 Å
• c: 25.2917 ± 0.0007 Å
• α: 90°
• β: 100.156 ± 0.0007°
• γ: 90°
• Cell volume: 4320 ± 0.6 ų
• Cell temperature: 180.2 K
• Ambient diffraction temperature: 180.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1525
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections: 1.347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.347
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No