Information card for entry 4070441

Structure parameters

• Formula: C59.36 H33.73 B Cl2.73 F15 Mn O4 P2
• Calculated formula: C59.3687 H33.7374 B Cl2.7374 F15 Mn O4 P2
• 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: 12.514 ± 0.001 Å
• b: 29.923 ± 0.001 Å
• c: 14.991 ± 0.001 Å
• α: 90°
• β: 101.67 ± 0.004°
• γ: 90°
• Cell volume: 5497.4 ± 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: 0.0766
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 2.805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No