Information card for entry 4311075

Structure parameters

• Formula: C66 H120 Mn6 N4 O26
• Calculated formula: C66 H120 Mn6 N4 O26
• 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: 27.476 ± 0.004 Å
• b: 27.476 ± 0.004 Å
• c: 66.576 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 43527 ± 10 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.747
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No