Information card for entry 7101346

Structure parameters

• Formula: C42.5 H30 Mn4 O13 P2
• Calculated formula: C42.5 H30 Mn4 O13 P2
• Title of publication: On a Novel Coordination Mode of Phosphinine C5H5P
• Authors of publication: Ch. Elschenbroich; Klaus Harms; Jorg Six
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 32
• a: 8.9492 ± 0.0008 Å
• b: 14.8524 ± 0.0013 Å
• c: 16.7326 ± 0.0015 Å
• α: 105.427 ± 0.007°
• β: 95.207 ± 0.007°
• γ: 92.097 ± 0.007°
• Cell volume: 2130.8 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No