Information card for entry 2218973

Structure parameters

• Chemical name: Poly[tris(μ-benzene-1,4-dicarboxylato)bis(dipyrido[3,2-a:2',3'-\ c]phenazine)trimanganese(II)]
• Formula: C52 H28 Mn3 N8 O12
• Calculated formula: C52 H28 Mn3 N8 O12
• Title of publication: Poly[tris(μ-benzene-1,4-dicarboxylato)bis(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)trimanganese(II)]
• Authors of publication: Zhang, Wen-Zhi; Xu, Qun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m995
• a: 13.323 ± 0.003 Å
• b: 10.949 ± 0.002 Å
• c: 16.315 ± 0.003 Å
• α: 90°
• β: 90.04 ± 0.03°
• γ: 90°
• Cell volume: 2379.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes