Information card for entry 4073254

Structure parameters

• Formula: C70.5 H65 Cl6 N2 O3 P3 Ru
• Calculated formula: C70.5 H65 Cl6 N2 O3 P3 Ru
• Title of publication: Synthesis and Characterization of Stable Ruthenabenzenes Starting from HC⋮CCH(OH)C⋮CH
• Authors of publication: Zhang, Hong; Feng, Li; Gong, Lei; Wu, Liqiong; He, Guomei; Wen, Tingbin; Yang, Fangzu; Xia, Haiping
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2705
• a: 13.915 ± 0.002 Å
• b: 14.921 ± 0.002 Å
• c: 18.165 ± 0.003 Å
• α: 104.201 ± 0.002°
• β: 106.209 ± 0.003°
• γ: 102.962 ± 0.003°
• Cell volume: 3332.8 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0773
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No