Information card for entry 2003654

Structure parameters

• Formula: C100 H84 Mn6 N22 O68
• Calculated formula: C104 H78 Mn6 N22 O67
• Title of publication: [Mn~6~O~2~{O~2~C-3,5-(NO~2~)~2~-C~6~H~3~}~10~(C~5~H~5~N)~2~{(CH~3~)~2~CO}~2~].2(CH~3~)~2~CO.2(C~2~H~5~)~2~O and [Mn~6~O~2~(O~2~CC~6~H~5~)~10~(NCCH~3~)~4~]
• Authors of publication: Halcrow, M. A.; Streib, W. E.; Folting, K.; Christou, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1263 - 1267
• a: 23.512 ± 0.004 Å
• b: 23.861 ± 0.004 Å
• c: 22.417 ± 0.004 Å
• α: 90°
• β: 103.16 ± 0.01°
• γ: 90°
• Cell volume: 12246 ± 4 ų
• Cell temperature: 120 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 significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.0666
• Goodness-of-fit parameter for significantly intense reflections: 1.415
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No