Information card for entry 4070442

Structure parameters

• Formula: C60.98 H37.94 B Cl1.01 F15 O4 P2 Re
• Calculated formula: C60.964 H37.91 B Cl1.018 F15 O4 P2 Re
• Title of publication: Transformations of Group 7 Carbonyl Complexes: Possible Intermediates in a Homogeneous Syngas Conversion Scheme
• Authors of publication: Elowe, Paul R.; West, Nathan M.; Labinger, Jay A.; Bercaw, John E.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 6218
• a: 12.6862 ± 0.0008 Å
• b: 29.8277 ± 0.0019 Å
• c: 15.008 ± 0.0009 Å
• α: 90°
• β: 102.822 ± 0.004°
• γ: 90°
• Cell volume: 5537.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.739
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No