Information card for entry 7029635

Structure parameters

• Formula: C111 H87 Mn6 Mo3 N51 O6
• Calculated formula: C111 H87 Mn6 Mo3 N51 O6
• Title of publication: Variations in topology and magnetic properties of hepta- and octacyanometallates of molybdenum with manganese(ii).
• Authors of publication: Wang, Qing-Lun; Zhang, Yuan-Zhu; Southerland, Heather; Prosvirin, Andrey V.; Zhao, Hanhua; Dunbar, Kim R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 18
• Pages of publication: 6802 - 6810
• a: 20.831 ± 0.004 Å
• b: 21.372 ± 0.004 Å
• c: 45.279 ± 0.012 Å
• α: 90°
• β: 117.11 ± 0.02°
• γ: 90°
• Cell volume: 17943 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.2561
• Weighted residual factors for all reflections included in the refinement: 0.2619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No