Information card for entry 7011974

Structure parameters

• Formula: C31.5 H54 As6 Cl2 N0.5 O1.5 Ru
• Calculated formula: C31.5 H54 As6 Cl2 N0.5 O1.5 Ru
• SMILES: [Ru]123([As](C)(C)c4ccccc4[As]1(C)C)([As](C)(C)c1ccccc1[As]2(C)C)[As](C)(C)c1ccccc1[As]3(C)C.[Cl-].[Cl-].O.O=CN(C)C
• Title of publication: Syntheses, characterization and redox properties of homoleptic ruthenium(II)‒diphosphine and diarsine complexes: deviations from ligand additivity
• Authors of publication: Annemarie A. La Pensée; Jamie Bickley; Simon J. Higgins; Massimo Marcaccio; Francesco Paolucci; Sergio Roffia; John M. Charnock
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4095 - 4104
• a: 11.6861 ± 0.0016 Å
• b: 16.9 ± 0.002 Å
• c: 20.774 ± 0.003 Å
• α: 94.833 ± 0.017°
• β: 102.402 ± 0.016°
• γ: 92.756 ± 0.017°
• Cell volume: 3983.5 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 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: 0.0969
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No