Information card for entry 4124289

Structure parameters

• Formula: C103.24 H114.87 Cr N10.62 O0.05
• Calculated formula: C103.244 H114.866 Cr N10.622 O0.053
• Title of publication: Mn(V)(O) versus Cr(V)(O) Porphyrinoid Complexes: Structural Characterization and Implications for Basicity Controlling H-Atom Abstraction.
• Authors of publication: Baglia, Regina A.; Prokop-Prigge, Katharine A; Neu, Heather M.; Siegler, Maxime A.; Goldberg, David P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 34
• Pages of publication: 10874 - 10877
• a: 12.2628 ± 0.0003 Å
• b: 18.0788 ± 0.0004 Å
• c: 20.8997 ± 0.0005 Å
• α: 75.7972 ± 0.0018°
• β: 81.3662 ± 0.0019°
• γ: 75.8437 ± 0.0019°
• Cell volume: 4335.3 ± 0.18 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No