Information card for entry 2233353

Structure parameters

• Chemical name: <i>trans</i>-Tetraaquabis[bis(pyridin-3-yl)methanone-κ<i>N</i>]manganese(II) bis(perchlorate)
• Formula: C22 H24 Cl2 Mn N4 O14
• Calculated formula: C22 H24 Cl2 Mn N4 O14
• SMILES: c1c(C(=O)c2c[n](ccc2)[Mn]([OH2])([OH2])([n]2cc(C(=O)c3cccnc3)ccc2)([OH2])[OH2])cncc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: <i>trans</i>-Tetraaquabis[bis(pyridin-3-yl)methanone-κ<i>N</i>]manganese(II) bis(perchlorate)
• Authors of publication: Liu, Bin; Zhang, Fan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m25
• a: 8.41 ± 0.002 Å
• b: 11.962 ± 0.003 Å
• c: 14.386 ± 0.004 Å
• α: 90°
• β: 95.476 ± 0.005°
• γ: 90°
• Cell volume: 1440.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes