Information card for entry 4346058

Structure parameters

• Formula: C71 H85 B F Mn N8 O2
• Calculated formula: C71 H85 B F Mn N8 O2
• Title of publication: Coordination-induced spin-state change in manganese(V) complexes: the electronic structure of manganese(V) nitrides.
• Authors of publication: Kropp, Henning; Scheurer, Andreas; Heinemann, Frank W.; Bendix, Jesper; Meyer, Karsten
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3562 - 3572
• a: 15.0917 ± 0.0013 Å
• b: 15.1271 ± 0.0013 Å
• c: 15.1653 ± 0.0014 Å
• α: 99.476 ± 0.002°
• β: 113.149 ± 0.002°
• γ: 96.814 ± 0.002°
• Cell volume: 3075.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0804
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No