Information card for entry 2217232

Structure parameters

• Chemical name: Bis(μ-carboxylatoethylphosphonato)bis[aqua(2,2'-bipyridine)manganese(II)]
• Formula: C26 H30 Mn2 N4 O12 P2
• Calculated formula: C26 H30 Mn2 N4 O12 P2
• SMILES: c1cccc2c3cccc[n]3[Mn]34([n]12)(OP(=O)(O)CCC1=[O][Mn]2([n]5ccccc5c5cccc[n]25)(OP(=O)(O)CCC(=[O]3)O4)(O1)[OH2])[OH2]
• Title of publication: Bis(μ-carboxylatoethylphosphonato)bis[aqua(2,2'-bipyridine)manganese(II)]
• Authors of publication: Shao-Ming Ying; Yun Chen; Qiu-Yan Luo; Ya-Ping Xv; Dong-Sheng Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m166 - m166
• a: 8.7553 ± 0.0013 Å
• b: 18.06 ± 0.003 Å
• c: 20.682 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3270.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes