Information card for entry 4060674

Structure parameters

• Common name: [fac-Re(dmbpy)(CO)~3~]3(OCO~2~)ReO~4~
• Chemical name: [fac-Re(dmbpy)(CO)~3~]3(OCO~2~)ReO~4~
• Formula: C49.25 H48 Cl1.5 N6 O16.25 Re4
• Calculated formula: C49.5 H36 Cl1.5 N6 O16.5 Re4
• Title of publication: Synthesis and Reactions of fac-[Re(dmbpy)(CO)3X] (dmbpy \δb 4,4'-Dimethyl-2,2'-bipyridine; X =COOH, CHO) and Their Derivatives
• Authors of publication: Dorothy H. Gibson; Xiaolong Yin; Haiyang He; Mark S. Mashuta
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Pages of publication: 337 - 346
• a: 40.977 ± 0.005 Å
• b: 13.1061 ± 0.0018 Å
• c: 23.985 ± 0.003 Å
• α: 90°
• β: 123.571 ± 0.002°
• γ: 90°
• Cell volume: 10732 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.052
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No