Information card for entry 4312104

Structure parameters

• Formula: C36 H32 Cu F20 N2 O4
• Calculated formula: C36 H32 Cu F20 N2 O4
• SMILES: c1(c(c(F)c(F)c(c1F)F)F)O[Cu](Oc1c(c(c(c(F)c1F)F)F)F)(Oc1c(c(c(c(c1F)F)F)F)F)Oc1c(c(F)c(F)c(F)c1F)F.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC
• Title of publication: Homoleptic Cobalt and Copper Phenolate A2[M(OAr)4] Compounds: The Effect of Phenoxide Fluorination
• Authors of publication: Marisa C. Buzzeo; Amber H. Iqbal; Charli M. Long; David Millar; Sonal Patel; Matthew A. Pellow; Sahar A. Saddoughi; Abigail L. Smenton; John F. C. Turner; Jay D. Wadhawan; Richard G. Compton; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7709 - 7725
• a: 12.5488 ± 0.0007 Å
• b: 12.455 ± 0.0007 Å
• c: 14.0038 ± 0.0008 Å
• α: 90°
• β: 114.282 ± 0.001°
• γ: 90°
• Cell volume: 1995.1 ± 0.2 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No