Information card for entry 4063940

Structure parameters

• Formula: C33 H68 Cl8 O2 P6 Ru2
• Calculated formula: C33 H68 Cl8 O2 P6 Ru2
• Title of publication: Spectroscopic and Computational Studies of the Ligand Redox Non-Innocence in Mono- and Binuclear Ruthenium Vinyl Complexes
• Authors of publication: Man, Wing Y.; Xia, Jian-Long; Brown, Neil J.; Farmer, Julian D.; Yufit, Dmitry S.; Howard, Judith A. K.; Liu, Sheng Hua; Low, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 1852
• a: 55.2276 ± 0.0011 Å
• b: 9.4525 ± 0.0002 Å
• c: 21.2707 ± 0.0004 Å
• α: 90°
• β: 106.95 ± 0.01°
• γ: 90°
• Cell volume: 10621.8 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No