Information card for entry 4325759

Structure parameters

• Formula: C56 H76 Mn N2 O6
• Calculated formula: C56 H76 Mn N2 O6
• SMILES: c12c3c(cc(c1Oc1c4N2[Mn]25(O3)(Oc4c(cc1C(C)(C)C)C(C)(C)C)N1c3c(c(cc(c3Oc3c1c(O5)c(cc3C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)O2)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis, Molecular and Electronic Structures of Six-Coordinate Transition Metal (Mn, Fe, Co, Ni, Cu, and Zn) Complexes with Redox-Active 9-Hydroxyphenoxazin-1-one Ligands
• Authors of publication: Eugeny P. Ivakhnenko; Andrey G. Starikov; Vladimir I. Minkin; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Vladimir I. Simakov; Mikhail S. Korobov; Gennady S. Borodkin; Pavel A. Knyazev
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7022 - 7032
• a: 23.54 ± 0.003 Å
• b: 20.047 ± 0.003 Å
• c: 12.6391 ± 0.0016 Å
• α: 90°
• β: 116.672 ± 0.002°
• γ: 90°
• Cell volume: 5329.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 0.74
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No