Information card for entry 1517588

Structure parameters

• Formula: C52 H54 Mn3 N4 O16
• Calculated formula: C52 H54 Mn3 N4 O16
• Title of publication: Influential factors on assembly of first-row transition metal coordination polymers
• Authors of publication: Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 403
• Pages of publication: 53 - 62
• a: 14.3217 ± 0.0003 Å
• b: 18.4222 ± 0.0004 Å
• c: 20.9869 ± 0.0004 Å
• α: 90°
• β: 99.57 ± 0.002°
• γ: 90°
• Cell volume: 5460.1 ± 0.2 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: 0.0686
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No