Information card for entry 7009811

Structure parameters

• Formula: C29 H32 Cl5 N2 P Ru
• Calculated formula: C29 H32 Cl5 N2 P Ru
• SMILES: [Ru]123456(Cl)([P](CNc7[n]1cccc7)(c1ccccc1)c1ccccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)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: 10.98 ± 0.002 Å
• b: 12.228 ± 0.003 Å
• c: 24.194 ± 0.003 Å
• α: 90°
• β: 101.96 ± 0.02°
• γ: 90°
• Cell volume: 3177.9 ± 1.1 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0382
• Goodness-of-fit parameter for all reflections: 1.635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.635
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No