Information card for entry 8102859

Structure parameters

• Common name: W20
• Chemical name: Cis-dichloro-1,2-R,R-diaminocyclohexane-bis[1,3-(diphenyl)propane]ruthenium(II)
• Formula: C33 H40 Cl2 N2 P2 Ru
• Calculated formula: C33 H40 Cl2 N2 P2 Ru
• SMILES: [Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)CCC[P]1(c1ccccc1)c1ccccc1)[NH2][C@H]1[C@H]([NH2]2)CCCC1.[Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)CCC[P]1(c1ccccc1)c1ccccc1)[NH2][C@@H]1[C@@H]([NH2]2)CCCC1
• Title of publication: Crystal structure of cis-dichloro(1,2-R,R-diaminocyclohexane)-bis[1,3-(diphenylphosphino)propane]ruthenium(II), RuCl2(C27H26P2)(C6H14N2)
• Authors of publication: Ismail Warad
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 753
• a: 9.87 ± 0.0011 Å
• b: 13.0437 ± 0.0011 Å
• c: 14.446 ± 0.003 Å
• α: 110.856 ± 0.01°
• β: 100.55 ± 0.012°
• γ: 107.657 ± 0.009°
• Cell volume: 1565.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0346
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No