Information card for entry 7052704

Structure parameters

• Formula: C28 H25 Br Cu Fe N2 O3
• Calculated formula: C28 H25 Br Cu Fe N2 O3
• SMILES: [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[c]8([cH]7[cH]6[cH]51)C1C=C(N2[Cu]3([N](c4c2cccc4)=Cc2cc(Br)ccc2O3)[O]=1)C.OC
• Title of publication: New copper(ii)-centered complexes with organometallic donor‒acceptor substituted unsymmetrical Schiff base ligands
• Authors of publication: Trujillo, Alexander; Justaud, Frédéric; Toupet, Loïc; Cador, Olivier; Carrillo, David; Manzur, Carolina; Hamon, Jean-René
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 2027
• a: 8.4612 ± 0.0004 Å
• b: 21.2485 ± 0.0009 Å
• c: 13.5664 ± 0.0006 Å
• α: 90°
• β: 91.226 ± 0.003°
• γ: 90°
• Cell volume: 2438.51 ± 0.19 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0985
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.642
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No