Information card for entry 2225331

Structure parameters

• Chemical name: [μ-<i>N</i>,<i>N</i>'-Bis(2-pyridylmethylene)ethane-1,2- diamine]bis{aqua[<i>N</i>,<i>N</i>'-bis(2-pyridylmethylene)ethane-1,2- diamine]manganese(II)} tetrakis(perchlorate)
• Formula: C42 H46 Cl4 Mn2 N12 O18
• Calculated formula: C42 H46 Cl4 Mn2 N12 O18
• SMILES: c1[n]2c(C=[N]3[Mn]42([N](=Cc2ncccc2)CC3)([n]2ccccc2C=[N]4CC[N]2=Cc3[n](cccc3)[Mn]342([n]2ccccc2C=[N]3CC[N]4=Cc2ncccc2)[OH2])[OH2])ccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: [μ-<i>N</i>,<i>N</i>'-Bis(2-pyridylmethylene)ethane-1,2-diamine]bis{aqua[<i>N</i>,<i>N</i>'-bis(2-pyridylmethylene)ethane-1,2-diamine]manganese(II)} tetrakis(perchlorate)
• Authors of publication: Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m255
• a: 11.3698 ± 0.0006 Å
• b: 19.026 ± 0.001 Å
• c: 12.8628 ± 0.0007 Å
• α: 90°
• β: 110.218 ± 0.001°
• γ: 90°
• Cell volume: 2611.1 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1419
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes