Information card for entry 4337184

Structure parameters

• Formula: C42 H50 Cl2 O P2 Ru
• Calculated formula: C42 H50 Cl2 O P2 Ru
• SMILES: [Ru]12(Cl)(Cl)([P](c3cccc4C(c5c([O]2c34)c([P]1(C(C)C)C(C)C)ccc5)(C)C)(C(C)C)C(C)C)=C=C=C(c1ccccc1)c1ccccc1
• Title of publication: POP-Pincer Ruthenium Complexes: d(6) Counterparts of Osmium d(4) Species.
• Authors of publication: Alós, Joaquín; Bolaño, Tamara; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 1195 - 1209
• a: 13.3598 ± 0.0017 Å
• b: 14.0823 ± 0.0018 Å
• c: 39.586 ± 0.005 Å
• α: 90°
• β: 92.453 ± 0.002°
• γ: 90°
• Cell volume: 7440.8 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1155
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No