Information card for entry 2230919

Structure parameters

• Chemical name: Bis(4-fluorobenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-(4-fluorobenzoic acid-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)copper(II)
• Formula: C33 H25 Cu F3 N4 O8
• Calculated formula: C33 H25 Cu F3 N4 O8
• SMILES: [Cu]1(OC(=[O]1)c1ccc(F)cc1)([O]=C(O)c1ccc(F)cc1)(OC(=O)c1ccc(F)cc1)([n]1ccc(cc1)C(=O)N)[n]1ccc(cc1)C(=O)N
• Title of publication: Bis(4-fluorobenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-(4-fluorobenzoic acid-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)copper(II)
• Authors of publication: Necefoğlu, Hacali; Özbek, Füreya Elif; Öztürk, Vijdan; Tercan, Barış; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m887 - m888
• a: 10.337 ± 0.0002 Å
• b: 11.6707 ± 0.0003 Å
• c: 14.1121 ± 0.0004 Å
• α: 110.824 ± 0.004°
• β: 101.333 ± 0.003°
• γ: 95.761 ± 0.002°
• Cell volume: 1533.09 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes