Information card for entry 2003655

Structure parameters

• Formula: C78 H62 Mn6 N4 O22
• Calculated formula: C78 H62 Mn6 N4 O22
• 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: 18.441 ± 0.003 Å
• b: 24.561 ± 0.004 Å
• c: 17.497 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7925 ± 2 ų
• Cell temperature: 103 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No