Information card for entry 2215752

Structure parameters

• Chemical name: (5,16-Dimethyl-2,6,13,17-tetraazatricyclo[14.4.0^1,18^.0^7,12^] docosane-κ^4^N)bis(perchlorato-κO)copper(II)
• Formula: C20 H40 Cl2 Cu N4 O8
• Calculated formula: C20 H40 Cl2 Cu N4 O8
• SMILES: [C@@H]12CCCC[C@H]1[NH]1CC[C@H](C)[NH]3[Cu]41[NH]2[C@@H](CC[NH]4[C@@H]1[C@@H]3CCCC1)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: (5,16-Dimethyl-2,6,13,17-tetraazatricyclo[14.4.0^1,18^.0^7,12^]docosane-κ^4^<i>N</i>)bis(perchlorato-κ<i>O</i>)copper(II)
• Authors of publication: Choi, Jong-Ha; Ryoo, Keon Sang; Park, Ki-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2674 - m2675
• a: 18.8782 ± 0.0012 Å
• b: 8.0923 ± 0.0005 Å
• c: 16.8906 ± 0.0011 Å
• α: 90°
• β: 94.741 ± 0.001°
• γ: 90°
• Cell volume: 2571.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.258
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes