Information card for entry 2220360

Structure parameters

• Chemical name: [μ-10,21-Dimethyl-3,6,14,17-tetrazatricyclo[17.3.1.1^8,12^]tetracosa-1(23),2, 6,8,10,12(24),13,17,19,21-decaene-23,24-diolato-κ^4^<i>N</i>^3^,<i>N</i>^6^, <i>O</i>^23^,<i>O</i>^24^:κ^4^<i>N</i>^14^,<i>N</i>^17^,<i>O</i>^23^,\ <i>O</i>^24^]bis(perchlorato-κ<i>O</i>)dimanganese(II)
• Formula: C22 H22 Cl2 Mn2 N4 O10
• Calculated formula: C22 H22 Cl2 Mn2 N4 O10
• SMILES: c12c3cc(cc1C=[N]1CC[N]4=Cc5c6c(cc(c5)C)C=[N]5CC[N](=C3)[Mn]35([O]2[Mn]14[O]63)OCl(=O)(=O)=O)C.[O-]Cl(=O)(=O)=O
• Title of publication: [μ-10,21-Dimethyl-3,6,14,17-tetrazatricyclo[17.3.1.1^8,12^]tetracosa-1(23),2,6,8,10,12(24),13,17,19,21-decaene-23,24-diolato-κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>O</i>^23^,<i>O</i>^24^:κ^4^<i>N</i>^14^,<i>N</i>^17^,<i>O</i>^23^,<i>O</i>^24^]bis(perchlorato-κ<i>O</i>)dimanganese(II)
• Authors of publication: Liu, Jing; Pan, Zhi-Quan; Zhou, Hong; Li, Yi-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1506
• a: 8.3129 ± 0.001 Å
• b: 8.3759 ± 0.0011 Å
• c: 9.9712 ± 0.0012 Å
• α: 81.484 ± 0.002°
• β: 68.52 ± 0.003°
• γ: 78.838 ± 0.002°
• Cell volume: 631.56 ± 0.14 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.074
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes