Information card for entry 2206054

Structure parameters

• Chemical name: [3,6,14,21-Tetraaza-3,6-difuryl-10,25-dimethyl-27,28- dioxotetracyclo[18.4.3.3^8,12^.0^15,20^]octacosa- 8,10,12(28),13,17,19,21,23,25,27(1)-decaene-κ^4^N,N',O,O'](perchlorato- κO)copper(II) perchlorate dimethylformamide solvate
• Formula: C39 H43 Cl2 Cu N5 O13
• Calculated formula: C39 H43 Cl2 Cu N5 O13
• SMILES: c1ccc(CN2CCN(Cc3ccco3)Cc3cc(cc4c3[OH][Cu]35([N](=C4)c4ccccc4[N]3=Cc3cc(cc(c3[OH]5)C2)C)OCl(=O)(=O)=O)C)o1.CN(C)C=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: (Perchlorato-κ<i>O</i>)[3,6,14,21-tetraaza-3,6-difuryl-27,28-dihydroxy-10,25-dimethyltetracyclo[18.4.3.3^8,12^.0^15,20^]octacosa-8,10,12(28),13,17,19,21,23,25,27(1)-decaene-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>']copper(II) perchlorate dimethylformamide solvate
• Authors of publication: Sun, Gang-Chun; Li, Yi-Zhi; Chen, Nai-Sheng; Wang, Liu-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1065 - m1066
• a: 9.717 ± 0.002 Å
• b: 27.863 ± 0.003 Å
• c: 14.902 ± 0.005 Å
• α: 90°
• β: 93.06 ± 0.02°
• γ: 90°
• Cell volume: 4028.9 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes