Information card for entry 7031160

Structure parameters

• Formula: C32 H40 Cl O3 P Ru
• Calculated formula: C32 H40 Cl O3 P Ru
• SMILES: [Ru]123456([P](C(=C(O1)C(c1ccccc1)c1ccccc1)C(=O)OC)(C(C)C)C(C)C)(Cl)[c]1([cH]2[c]3([cH]4[c]5([cH]61)C)C)C
• Title of publication: Areneruthenium(ii) complexes containing bulky phosphines with various functionalities as ligands
• Authors of publication: Henig, Gerhard; Schulz, Michael; Windmüller, Bettina; Werner, Helmut
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 441 - 448
• a: 12.472 ± 0.008 Å
• b: 14.435 ± 0.007 Å
• c: 17.992 ± 0.011 Å
• α: 90°
• β: 104.81 ± 0.03°
• γ: 90°
• Cell volume: 3132 ± 3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1535
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No