Information card for entry 4337183

Structure parameters

• Formula: C29 H48 O2 P2 Ru S
• Calculated formula: C29 H48 O2 P2 Ru S
• SMILES: [RuH2]12([S](=O)(C)C)[P](c3c4[O]2c2c(C(c4ccc3)(C)C)cccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• 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: 11.3942 ± 0.0008 Å
• b: 12.0436 ± 0.0009 Å
• c: 22.0937 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3031.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0847
• 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