Information card for entry 2210421

Structure parameters

• Chemical name: (Acetonitrile)(4'-phenyl-2,2':6',2''-terpyridine)bis(tri-<i>n</i>-butyl- phosphine)ruthenium(II) bis(hexafluorophosphate) dichloromethane solvate
• Formula: C48 H74 Cl2 F12 N4 P4 Ru
• Calculated formula: C48 H72 Cl2 F12 N4 P4 Ru
• Title of publication: (Acetonitrile)(4'-phenyl-2,2':6',2''-terpyridine)bis(tri-<i>n</i>-butylphosphine)ruthenium(II) bis(hexafluorophosphate) dichloromethane solvate
• Authors of publication: Kan, Jian; Zhang, Li-Yi; Gao, Li-Bin; Shi, Lin-Xi; Chen, Zhong-Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2255 - m2256
• a: 18.9433 ± 0.0013 Å
• b: 20.9992 ± 0.0013 Å
• c: 15.4852 ± 0.001 Å
• α: 90°
• β: 95.12 ± 0.003°
• γ: 90°
• Cell volume: 6135.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0548
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes