Information card for entry 7009814

Structure parameters

• Formula: C40 H40 Cl2 N2 O4 P2 Ru
• Calculated formula: C40 H40 Cl2 N2 O4 P2 Ru
• SMILES: [Ru]12345(Cl)([P](CNc6ncccc6OP(=O)(Oc6ccccc6)Oc6ccccc6)(c6ccccc6)c6ccccc6)([c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C)Cl
• Title of publication: The synthesis and co-ordination chemistry of new functionalised pyridylphosphines derived from Ph2PCH2OH †
• Authors of publication: Durran, Sean E.; Smith, Martin B.; Slawin, Alexandra M. Z.; Steed, Jonathan W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 2771
• a: 7.3753 ± 0.0003 Å
• b: 12.8896 ± 0.0003 Å
• c: 20.6503 ± 0.0005 Å
• α: 106.031 ± 0.002°
• β: 99.091 ± 0.002°
• γ: 93.886 ± 0.002°
• Cell volume: 1850.19 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No