Information card for entry 4311074

Structure parameters

• Formula: C66 H121.5 Mn6 N O29
• Calculated formula: C66 H121.5 Mn6 N O29
• Title of publication: Synthesis and Structure of Heterospin Compounds Based on the [Mn6(O)2Piv10]- Cluster Unit and Nitroxide
• Authors of publication: Victor Ovcharenko; Elena Fursova; Galina Romanenko; Vladimir Ikorskii
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3332 - 3334
• a: 24.5993 ± 0.0015 Å
• b: 13.6341 ± 0.0008 Å
• c: 52.568 ± 0.003 Å
• α: 90°
• β: 91.289 ± 0.001°
• γ: 90°
• Cell volume: 17626.3 ± 1.8 ų
• Cell temperature: 568 ± 2 K
• Ambient diffraction temperature: 568 ± 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: 0.1363
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No