Information card for entry 4070439

Structure parameters

• Formula: C66 H56 B Cl2 O4 P2 Re
• Calculated formula: C66 H56 B Cl2 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: 20.2321 ± 0.0005 Å
• b: 8.8558 ± 0.0002 Å
• c: 15.6377 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2801.83 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No