Information card for entry 2228228

Structure parameters

• Chemical name: Dichlorido[μ-10,21-dimethyl-2,7,13,18-tetraphenyl-3,6,14,17- tetraazatricyclo[17.3.1.1^8,12^]tetracosa-1(23),2,6,8,10,12(24),13,17,19,21- decaene-23,24-diolato]dicopper(II) ethanol hemisolvate dihydrate
• Formula: C47 H45 Cl2 Cu2 N4 O4.5
• Calculated formula: C94 H90 Cl4 Cu4 N8 O9
• Title of publication: Dichlorido[μ-10,21-dimethyl-2,7,13,18-tetraphenyl-3,6,14,17-tetraazatricyclo[17.3.1.1^8,12^]tetracosa-1(23),2,6,8,10,12(24),13,17,19,21-decaene-23,24-diolato]dicopper(II) ethanol hemisolvate dihydrate
• Authors of publication: Gupta, Sushil K.; Anjana, Chanda; Butcher, Ray J.; Sen, Neha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1531 - m1532
• a: 15.1983 ± 0.0004 Å
• b: 16.268 ± 0.0005 Å
• c: 19.3344 ± 0.0005 Å
• α: 90°
• β: 103.964 ± 0.002°
• γ: 90°
• Cell volume: 4639.1 ± 0.2 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: 0.0731
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes