Information card for entry 2208509

Structure parameters

• Chemical name: Tetraaquabis[4-(4-pyridyl)benzoato-κN]manganese(II)
• Formula: C24 H24 Mn N2 O8
• Calculated formula: C24 H24 Mn N2 O8
• SMILES: c1(c2cc[n](cc2)[Mn]([OH2])([OH2])([n]2ccc(c3ccc(C(=O)[O-])cc3)cc2)([OH2])[OH2])ccc(C(=O)[O-])cc1
• Title of publication: Tetraaquabis[4-(4-pyridyl)benzoato-κ<i>N</i>]manganese(II)
• Authors of publication: Zeng, Ming-Hua; Wu, Mei-Chun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m661 - m662
• a: 6.3442 ± 0.0003 Å
• b: 7.1089 ± 0.0003 Å
• c: 13.2655 ± 0.0006 Å
• α: 95.201 ± 0.002°
• β: 96.001 ± 0.003°
• γ: 112.042 ± 0.001°
• Cell volume: 546.01 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes