Information card for entry 2215972

Structure parameters

• Chemical name: κ^4^N^3^,N^6^,O^23^,O^24^:κ^4^N^14^,N^17^,O^23^,O^24^]bis[methanolcopper(II)] bis(perchlorate)
• Formula: C22 H24 Cl2 Cu2 F2 N4 O12
• Calculated formula: C22 H24 Cl2 Cu2 F2 N4 O12
• SMILES: C1=[N]2CC[N]3[Cu]42([O]2c5c(cc(cc15)F)C=[N]1CC[N]5[Cu]21([O]4c1c(cc(cc1C=5)F)C=3)[OH]C)[OH]C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: [μ-10,21-Difluoro-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[methanolcopper(II)] bis(perchlorate)
• Authors of publication: Jun-Lin Bai; Hong Zhou; Zhi-Quan Pan; Xiang-Gao Meng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2641 - m2641
• a: 7.8124 ± 0.0013 Å
• b: 8.4132 ± 0.0015 Å
• c: 10.8144 ± 0.0018 Å
• α: 103.127 ± 0.003°
• β: 96.272 ± 0.003°
• γ: 97.569 ± 0.003°
• Cell volume: 679 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes