Information card for entry 4311076

Structure parameters

• Formula: C68 H110 Mn6 O27
• Calculated formula: C68 H118 Mn6 O27
• 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: 14.231 ± 0.002 Å
• b: 23.048 ± 0.004 Å
• c: 27.494 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9018 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No