Information card for entry 7029637

Structure parameters

• Formula: C56.5 H64 Mn3 Mo1.5 N26.5 O7.5
• Calculated formula: C56.5 H64 Mn3 Mo1.5 N26.5 O7
• 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: 40.845 ± 0.008 Å
• b: 17.007 ± 0.003 Å
• c: 24.632 ± 0.005 Å
• α: 90°
• β: 120.68 ± 0.03°
• γ: 90°
• Cell volume: 14716 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No