Information card for entry 8103236

Structure parameters

• Formula: C26 H10 Cu F8 N2 O8
• Calculated formula: C26 H10 Cu F8 N2 O8
• SMILES: [Cu]1([n]2c(c3[n]1cccc3)cccc2)(OC(=O)c1c(c(F)c(F)c(F)c1F)C(=O)O)OC(=O)c1c(c(F)c(F)c(F)c1F)C(=O)O
• Title of publication: Crystal structure of bis(tetrafluorophthlato-?O)(2,2'-bipyridine-?2N,N')copper(II), Cu(C8HF4O4)2(C10H8N2)
• Authors of publication: Jun Zhang; Jing-Cheng Zhu; Kun Ying
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 557
• a: 9.72 ± 0.0011 Å
• b: 11.6077 ± 0.0014 Å
• c: 12.7189 ± 0.0015 Å
• α: 68.273 ± 0.001°
• β: 72.623 ± 0.001°
• γ: 81.361 ± 0.001°
• Cell volume: 1271 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No