Information card for entry 7114181

Structure parameters

• Formula: C52 H34 Cl28 Cu2 O14
• Calculated formula: C52 H34 Cl28 Cu2 O14
• SMILES: C1(c2c(c(c(c(c2Cl)Cl)[C](c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)=[O][Cu]234([O]=C(O[Cu]4(O1)([O]=C(c1c(c(c(c(c1Cl)Cl)[C](c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl)Cl)O2)([O]=C(O3)C)[OH2])C)[OH2].OCC.OCC.OCC.OCC
• Title of publication: A very bulky carboxylic perchlorotriphenylmethyl radical as a novel ligand for transition metal complexes. A new spin frustrated metal system
• Authors of publication: Maspoch, Daniel; Ruiz-Molina, Daniel; Wurst, Klaus; Rovira, Concepció; Veciana, Jaume
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 2958 - 2959
• a: 26.296 ± 0.002 Å
• b: 16.904 ± 0.0009 Å
• c: 8.5648 ± 0.0006 Å
• α: 90°
• β: 93.76 ± 0.003°
• γ: 90°
• Cell volume: 3798.9 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0798
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No