Information card for entry 8102863

Structure parameters

• Chemical name: Mn(II) Coordination polymer based on 1,3-Di(4-pyridyl) Propane and 4-Amino-o-phthalic acid
• Formula: C42 H44 Mn N6 O10
• Calculated formula: C42 H44 Mn N6 O10
• Title of publication: Crystal structure of diaquabis[1,3-di(4-pyridyl)propane]manganese(II) bis(hydrogen 4-amino-o-phthalate), [Mn(H2O)2(C13H14N2)2](C8H6O4N)2
• Authors of publication: Ling-Yun Xin; Guang-Zhen Liu; Xiao-Ling Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 739
• a: 13.616 ± 0.003 Å
• b: 16.315 ± 0.004 Å
• c: 18.529 ± 0.004 Å
• α: 90°
• β: 91.739 ± 0.003°
• γ: 90°
• Cell volume: 4114.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0633
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 2.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No