Information card for entry 2225513

Structure parameters

• Chemical name: (<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-\ 4,11-diene)copper(II) bis[<i>O</i>,<i>O</i>'-bis(4-methylphenyl) dithiophosphate]
• Formula: C44 H60 Cu N4 O4 P2 S4
• Calculated formula: C44 H60 Cu N4 O4 P2 S4
• SMILES: c1(ccc(cc1)C)OP(Oc1ccc(cc1)C)(=S)[S-].[NH]12CC[N]3[Cu]41[N](CC[NH]4C(CC=3C)(C)C)=C(C)CC2(C)C.c1(ccc(cc1)C)OP(Oc1ccc(cc1)C)(=S)[S-]
• Title of publication: (<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)copper(II) bis[<i>O</i>,<i>O</i>'-bis(4-methylphenyl) dithiophosphate]
• Authors of publication: He, Lin-Xin; Zou, Li-Ke; Xie, Bin; Xiang, Yang-Guang; Feng, Jian-Shen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m428
• a: 8.1043 ± 0.0009 Å
• b: 10.212 ± 0.0011 Å
• c: 15.8435 ± 0.0017 Å
• α: 82.456 ± 0.002°
• β: 79.623 ± 0.002°
• γ: 70.797 ± 0.002°
• Cell volume: 1214.3 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes