Information card for entry 7214732

Structure parameters

• Common name: (Mn4(H2O)6(L2)(B1)2)-DMF-5(H2O)
• Chemical name: [Mn4(H2O)6(L2)(B1)2]-DMF-5(H2O)
• Formula: C52 H61 Mn4 N11 O28
• Calculated formula: C52 H46 Mn4 N11 O28
• Title of publication: Coordination polymers with mixed 4,4′-bipyridine-2,2′,6, 6′-tetracarboxylate and imidazole-containing ligands: synthesis, structure and properties
• Authors of publication: Chen, Min; Bai, Zheng-Shuai; Liu, Qing; Okamura, Taka-aki; Lu, Yi; Sun, Wei-Yin
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 8642
• a: 10.9016 ± 0.0015 Å
• b: 22.154 ± 0.003 Å
• c: 13.0426 ± 0.0019 Å
• α: 90°
• β: 103.073 ± 0.006°
• γ: 90°
• Cell volume: 3068.3 ± 0.7 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2463
• Weighted residual factors for all reflections included in the refinement: 0.2605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No