Information card for entry 2230713

Structure parameters

• Chemical name: Hexakis(1-benzyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)manganese(II) bis(perchlorate)
• Formula: C60 H60 Cl2 Mn N12 O8
• Calculated formula: C60 H60 Cl2 Mn N12 O8
• SMILES: c1[n](ccn1Cc1ccccc1)[Mn]([n]1cn(cc1)Cc1ccccc1)([n]1cn(cc1)Cc1ccccc1)([n]1cn(cc1)Cc1ccccc1)([n]1cn(cc1)Cc1ccccc1)[n]1cn(cc1)Cc1ccccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Hexakis(1-benzyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)manganese(II) bis(perchlorate)
• Authors of publication: Dong, Gui-Ying; Liu, Tong-Fei; He, Cui-Hong; Deng, Xiao-Chen; Shi, Xiao-Ge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m960
• a: 9.2832 ± 0.0019 Å
• b: 12.744 ± 0.003 Å
• c: 13.317 ± 0.003 Å
• α: 84.55 ± 0.03°
• β: 79.56 ± 0.03°
• γ: 75.87 ± 0.03°
• Cell volume: 1500.4 ± 0.6 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: 0.091
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes