Information card for entry 2211757

Structure parameters

• Chemical name: Carbonylchloro(5-carboxypyridine-2-carboxylato- κ^2^N,O^2^)bis(triphenylphosphine-κP)ruthenium(II) 0.345-hydrate benzene sesquisolvate
• Formula: C53 H43.68 Cl N O5.345 P2 Ru
• Calculated formula: C53 H43.7 Cl N O5.345 P2 Ru
• Title of publication: Carbonyl(5-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)chlorobis(triphenylphosphine-κ<i>P</i>)ruthenium(II) 0.345-hydrate benzene sesquisolvate
• Authors of publication: Sukanya, Duraiswamy; Natarajan, Karuppannan; Dobosh, Brian; Zeller, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m135 - m137
• a: 9.957 ± 0.0007 Å
• b: 11.0361 ± 0.0007 Å
• c: 22.9009 ± 0.0016 Å
• α: 90.678 ± 0.001°
• β: 96.295 ± 0.001°
• γ: 115.79 ± 0.001°
• Cell volume: 2247.2 ± 0.3 ų
• Cell temperature: 100 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes