Information card for entry 7000216

Structure parameters

• Formula: C73 H172 Cl8 Mn10 N8 O50
• Calculated formula: C73 H172 Cl8 Mn10 N8 O50
• Title of publication: A mononuclear MnIII/‘bis-tris’ complex and its conversion to a mixed-valence MnII/III5 cluster
• Authors of publication: Stamatatos, Theocharis C.; Abboud, Khalil A.; Christou, George
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 41 - 50
• a: 13.046 ± 0.0007 Å
• b: 14.7764 ± 0.0007 Å
• c: 32.4347 ± 0.0016 Å
• α: 90.395 ± 0.001°
• β: 101.172 ± 0.001°
• γ: 110.509 ± 0.001°
• Cell volume: 5726.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1102
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No