Information card for entry 7022990

Structure parameters

• Formula: C16 H18 Mn2 N14 O5
• Calculated formula: C16 H16 Mn2 N14 O5
• Title of publication: Structures and magnetic properties of copper(II) and manganese(II) polymers derived from pseudohalides and a flexible zwitterionic dicarboxylate ligand.
• Authors of publication: Wang, Kun; Yi, Xiu-Chun; Wang, Xuan; Li, Xiu-Bing; Gao, En-Qing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 8748 - 8760
• a: 10.1109 ± 0.0017 Å
• b: 11.0032 ± 0.0018 Å
• c: 12.373 ± 0.002 Å
• α: 92.442 ± 0.006°
• β: 91.11 ± 0.005°
• γ: 115.871 ± 0.005°
• Cell volume: 1236.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No