Information card for entry 2210642

Structure parameters

• Chemical name: [μ-rel-(3R,6S)-10,22-Dichloro-3,6-dimethyl-3,6,14,18- tetraazatricyclo[18.3.1.1^8,12^]pentacosa-1(24),8,10,12(25),13,18,20,22- octane-24,25-diolato- κ^4^N^3^,N^6^,O^24^,O^25^:κ^4^N^14^,N^18^,O^24^,O^25^]dicopper(II) perchlorate
• Formula: C23 H26 Cl4 Cu2 N4 O10
• Calculated formula: C23 H26 Cl4 Cu2 N4 O10
• SMILES: c12c3cc(cc1C[N]1(CC[N]4(Cc5c6c(cc(c5)Cl)C=[N]5CCC[N](=C3)[Cu]35[O]2[Cu]14([O]63)OCl(=O)(=O)=O)C)C)Cl.Cl(=O)(=O)(=O)[O-]
• Title of publication: [μ-<i>rel</i>-(3<i>R</i>,6S)-10,22-Dichloro-3,6-dimethyl-3,6,14,18-tetraazatricyclo[18.3.1.1^8,12^]pentacosa-1(24),8,10,12(25),13,18,20,22-octane-24,25-diolato-κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>O</i>^24^,<i>O</i>^25^:κ^4^<i>N</i>^14^,<i>N</i>^18^,<i>O</i>^24^,<i>O</i>^25^]dicopper(II) perchlorate
• Authors of publication: Huan Liu; Yi-Zhi Li; Dan Hu; Zhi-Quan Pan; Xue-Lei Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2530 - m2531
• a: 8.7105 ± 0.0016 Å
• b: 9.5778 ± 0.0018 Å
• c: 18.104 ± 0.003 Å
• α: 90°
• β: 100.761 ± 0.018°
• γ: 90°
• Cell volume: 1483.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes