Information card for entry 2216225

Structure parameters

• Chemical name: μ-Fumarato-κ^4^<i>O</i>,<i>O</i>';<i>O</i>'',<i>O</i>'''-bis[aqua(2,9- dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)(nitrato- κ^2^O,O')manganese(II)]
• Formula: C32 H30 Mn2 N6 O12
• Calculated formula: C32 H30 Mn2 N6 O12
• SMILES: Cc1ccc2ccc3c4[n]([Mn]5([n]1c24)(ON(=[O]5)=O)(OC(=O)/C=C/C(=O)O[Mn]12([n]4c(C)ccc5ccc6ccc([n]1c6c45)C)(ON(=[O]2)=O)[OH2])[OH2])c(cc3)C
• Title of publication: μ-Fumarato-κ^4^<i>O</i>,<i>O</i>';<i>O</i>'',<i>O</i>'''-bis[aqua(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>')manganese(II)]
• Authors of publication: Lin Li; Hui Zhang; Mei-Ling Zhang; Sai Bi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3096 - m3096
• a: 12.034 ± 0.002 Å
• b: 9.1824 ± 0.0016 Å
• c: 16.416 ± 0.002 Å
• α: 90°
• β: 113.532 ± 0.01°
• γ: 90°
• Cell volume: 1663.1 ± 0.5 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: 0.0465
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes