Information card for entry 7009816

Structure parameters

• Formula: C51 H57 Cl7 N2 O P2 Rh2
• Calculated formula: C51 H57 Cl7 N2 O P2 Rh2
• SMILES: [Rh]1234(Cl)([P](Oc5c(NC[P]([Rh]6789(Cl)(Cl)[c]%10([c]6([c]7([c]8([c]9%10C)C)C)C)C)(c6ccccc6)c6ccccc6)nccc5)(c5ccccc5)c5ccccc5)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)Cl.ClC(Cl)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: 9.6851 ± 0.0003 Å
• b: 16.4272 ± 0.0007 Å
• c: 16.6831 ± 0.0008 Å
• α: 99.178 ± 0.003°
• β: 91.764 ± 0.003°
• γ: 92.281 ± 0.003°
• Cell volume: 2616.35 ± 0.19 ų
• Cell temperature: 293 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No