Information card for entry 2207465

Structure parameters

• Chemical name: cis-Diaquabis(1,10-phenanthroline)manganese(II) 4-sulfonatobenzoate 6.5-hydrate
• Formula: C31 H37 Mn N4 O13.5 S
• Calculated formula: C31 H32.5 Mn N4 O13.5 S
• Title of publication: <i>cis</i>-Diaquabis(1,10-phenanthroline)manganese(II) 4-sulfonatobenzoate 6.5-hydrate
• Authors of publication: Zhang, Li-Ping; Zhu, Long-Guan; Cai, Guo-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2634 - m2636
• a: 12.4689 ± 0.001 Å
• b: 13.0731 ± 0.0011 Å
• c: 13.3104 ± 0.0011 Å
• α: 106.408 ± 0.002°
• β: 101.908 ± 0.001°
• γ: 114.895 ± 0.001°
• Cell volume: 1751.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes