Information card for entry 7205834

Structure parameters

• Formula: C50 H60 Cl0 Mn4 N0 O20
• Calculated formula: C50 H56 Mn4 O20
• Title of publication: Two new ferrimagnetic MnII-carboxylate coordination polymers constructed from 5-tert-butyl isophthalic acid with (5/2, 15/2) and (5/2, 10/2) spin topologies
• Authors of publication: Tian, Chong-Bin; He, Zhang-Zhen; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 3080
• a: 11.6608 ± 0.0006 Å
• b: 39.3981 ± 0.0019 Å
• c: 24.4617 ± 0.0012 Å
• α: 90°
• β: 101.297 ± 0.003°
• γ: 90°
• Cell volume: 11020.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0628
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No