Information card for entry 4313786

Structure parameters

• Formula: C15 H9 Cu F3 N2 O4
• Calculated formula: C15 H9 Cu F3 N2 O4
• Title of publication: A Quasi-Tetrahedral Cu4 Cluster and a Helical-Chain Copper(II) Complex with Single Syn-Anti Carboxylate Bridges: Crystal Structure and Magnetic Properties
• Authors of publication: Subrata Kumar Dey; Bappaditya Bag; K. M. Abdul Malik; M. Salah El Fallah; Joan Ribas; Samiran Mitra
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4029 - 4035
• a: 10.419 ± 0.002 Å
• b: 16.289 ± 0.005 Å
• c: 8.937 ± 0.004 Å
• α: 90°
• β: 107.83 ± 0.03°
• γ: 90°
• Cell volume: 1443.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No