Information card for entry 2012165

Structure parameters

• Formula: C20 H48 Cl2 Mn2 N9 O13
• Calculated formula: C20 H48 Cl2 Mn2 N9 O13
• SMILES: C1[NH]2CC[NH]3CCC[NH]4CC[NH](CC1)[Mn]15234O[Mn]2345([NH]5CCC[NH]2CC[NH]3CCC[NH]4CC5)O1.N(=O)(=O)[O-].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: A mixed-valence manganese(III)‒manganese(IV) di-μ-oxo complex, [(cyclam)MnO]~2~(ClO~4~)~2~(NO~3~)
• Authors of publication: Lu, Ying-Hong; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Shen, Zhen; Zuo, Jing-Lin; You, Xiao-Zeng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 911 - 913
• a: 19.9616 ± 0.0004 Å
• b: 13.8047 ± 0.0004 Å
• c: 12.1531 ± 0.0003 Å
• α: 90°
• β: 90.508 ± 0.001°
• γ: 90°
• Cell volume: 3348.82 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes