Information card for entry 4346055

Structure parameters

• Formula: C101 H112.5 B2 Mn N11 O1.25
• Calculated formula: C101 H112.5 B2 Mn N11 O1.25
• 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: 13.822 ± 0.002 Å
• b: 14.127 ± 0.003 Å
• c: 22.862 ± 0.004 Å
• α: 74.167 ± 0.003°
• β: 85.082 ± 0.003°
• γ: 84.965 ± 0.003°
• Cell volume: 4269.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No