Information card for entry 7204237

Structure parameters

• Formula: C56 H56 Mn2 N12 O0.5 S4
• Calculated formula: C56 H55 Mn2 N12 O0.5 S4
• Title of publication: Two novel two-dimensional double-sheet layered manganese(ii) coordination polymers: synthesis, crystal structures and third-order nonlinear optical properties
• Authors of publication: Hou, Hongwei; Wei, Yongli; Song, Yinglin; Zhu, Yu; Li, Linke; Fan, Yaoting
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 838
• a: 19.006 ± 0.004 Å
• b: 16.679 ± 0.003 Å
• c: 20.788 ± 0.004 Å
• α: 90°
• β: 115.04 ± 0.03°
• γ: 90°
• Cell volume: 5970 ± 2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2047
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections: 0.1783
• Weighted residual factors for significantly intense reflections: 0.1412
• Goodness-of-fit parameter for all reflections: 1.073
• Goodness-of-fit parameter for significantly intense reflections: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No