Information card for entry 4317425

Structure parameters

• Formula: C32 H40 Mn N6 O10
• Calculated formula: C32 H36 Mn N6 O10
• Title of publication: A 3-D Polymer, Mn(NITpPy)2(tp)(H2O)2: Crystal Structure and Magnetic Properties
• Authors of publication: Licun Li; Daizheng Liao; Zonghui Jiang; Shiping Yan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 421 - 424
• a: 11.395 ± 0.002 Å
• b: 26.852 ± 0.007 Å
• c: 12.688 ± 0.003 Å
• α: 90°
• β: 116.149 ± 0.004°
• γ: 90°
• Cell volume: 3484.9 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1306
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.2235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No