Information card for entry 4120717

Structure parameters

• Formula: C41 H65 Cr N4 Ni O0.5 P3
• Calculated formula: C41 H65 Cr N4 Ni O0.5 P3
• Title of publication: Systematic Variation of Metal-Metal Bond Order in Metal-Chromium Complexes
• Authors of publication: Laura J. Clouston; Randall B. Siedschlag; P. Alex Rudd; Nora Planas; Shuxian Hu; Adam D. Miller; Laura Gagliardi; Connie C. Lu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 13142 - 13148
• a: 11.1205 ± 0.0016 Å
• b: 14.167 ± 0.002 Å
• c: 14.256 ± 0.002 Å
• α: 71.694 ± 0.002°
• β: 83.745 ± 0.002°
• γ: 81.854 ± 0.002°
• Cell volume: 2105.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0852
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No