Information card for entry 5000312

Structure parameters

• Formula: C111 H82 Cl6 Mn10 N6 O36
• Calculated formula: C110.86 H82 Cl6 Mn10 N6 O36
• Title of publication: Decanuclear Manganese(III) Complexes with the [Mn~10~O~8~]^14+^ Core: Structural and Magnetochemical Characterization of [Mn~10~O~8~(O~2~CPh)~6~(chel)~8~] (chel = pic, dbm)
• Authors of publication: Eppley, Hilary J.; Aubin, Sheila M. J.; Streib, William E.; Bollinger, John C.; Hendrickson, David N.; Christou, George
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Journal issue: 1
• Pages of publication: 109 - 115
• a: 14.892 ± 0.006 Å
• b: 15.537 ± 0.006 Å
• c: 14.697 ± 0.006 Å
• α: 109.82 ± 0.02°
• β: 97.75 ± 0.02°
• γ: 111.66 ± 0.02°
• Cell volume: 2838.7 ± 2 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 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: 0.1898
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections: 0.1946
• Weighted residual factors for significantly intense reflections: 0.1657
• Goodness-of-fit parameter for all reflections: 1.297
• Goodness-of-fit parameter for significantly intense reflections: 1.661
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No