Information card for entry 7112426

Structure parameters

• Formula: C138 H173 Br5 Mn21 N24 O67
• Calculated formula: C118 H116 Br5 Mn21 N14 O66
• Title of publication: A 1-D coordination polymer based on a Mn40 octagonal super-structure.
• Authors of publication: Manoli, Maria; Inglis, Ross; Manos, Manolis J.; Papaefstathiou, Giannis S.; Brechin, Euan K.; Tasiopoulos, Anastasios J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1061 - 1063
• a: 18.5805 ± 0.0007 Å
• b: 22.136 ± 0.0007 Å
• c: 27.3338 ± 0.001 Å
• α: 111.986 ± 0.003°
• β: 91.14 ± 0.003°
• γ: 109.79 ± 0.003°
• Cell volume: 9669.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1043
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108802
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No