Information card for entry 4325173

Structure parameters

• Formula: C74 H61 F12 N10 O3.5 P2 Re2
• Calculated formula: C74 H46 F12 N10 O3.5 P2 Re2
• Title of publication: Synthesis, Functionalization, Characterization, and Photophysical Study of Carbonyl-Containing Isocyano Rhenium(I) Diimine Complexes
• Authors of publication: Apple Wai-Yi Cheung; Larry Tso-Lun Lo; Chi-Chiu Ko; Shek-Man Yiu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4798 - 4810
• a: 14.4508 ± 0.0003 Å
• b: 15.126 ± 0.0004 Å
• c: 18.0429 ± 0.0005 Å
• α: 86.884 ± 0.002°
• β: 78.297 ± 0.002°
• γ: 75.048 ± 0.002°
• Cell volume: 3731.12 ± 0.17 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0903
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1983
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No