Information card for entry 4311073

Structure parameters

• Formula: C64.5 H111 Cl Mn6 N2 O25.5
• Calculated formula: C64.5 H111 Cl Mn6 N2 O25.5
• 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: 13.904 ± 0.004 Å
• b: 22.851 ± 0.006 Å
• c: 27.277 ± 0.008 Å
• α: 83.949 ± 0.006°
• β: 88.167 ± 0.006°
• γ: 89.857 ± 0.007°
• Cell volume: 8614 ± 4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.2489
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.2544
• Goodness-of-fit parameter for all reflections included in the refinement: 0.831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No