Information card for entry 4312103

Structure parameters

• Formula: C72 H40 Cu F20 O4 P2
• Calculated formula: C72 H40 Cu F20 O4 P2
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)O[Cu](Oc1c(c(c(c(c1F)F)F)F)F)(Oc1c(c(F)c(F)c(F)c1F)F)Oc1c(c(F)c(F)c(F)c1F)F.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.006 ± 0.0012 Å
• b: 18.7195 ± 0.0018 Å
• c: 14.9767 ± 0.0015 Å
• α: 90°
• β: 108.055 ± 0.002°
• γ: 90°
• Cell volume: 3200.2 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No