Information card for entry 7114180

Structure parameters

• Formula: C44 H30 Cl28 Cu O15
• Calculated formula: C43.32 Cl28 Cu O13.64
• 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: 25.644 ± 0.004 Å
• b: 15.118 ± 0.003 Å
• c: 18.58 ± 0.003 Å
• α: 90°
• β: 92.18 ± 0.01°
• γ: 90°
• Cell volume: 7198 ± 2 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: 0.1159
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections: 0.2068
• Weighted residual factors for significantly intense reflections: 0.1678
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No