Information card for entry 7050569

Structure parameters

• Formula: C28 H20 Cl6 N4
• Calculated formula: C28 H20 Cl6 N4
• SMILES: c12ccccc1ccc(n2)/C=N/c1ccc(cc1)/N=C/c1ccc2c(cccc2)n1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: The synthesis and characterization of a series of bis-bidentate Schiff base ligands and their coordination complexes with silver(i), copper(i) and zinc(ii) d10 metal ionsElectronic supplementary information (ESI) available: Views of the crystal structures of ligands of 1, 2 and 3. See http://www.rsc.org/suppdata/nj/b3/b301632c/
• Authors of publication: Patra, Goutam Kumar; Goldberg, Israel
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1124
• a: 6.234 ± 0.0001 Å
• b: 9.344 ± 0.0002 Å
• c: 12.612 ± 0.0003 Å
• α: 70.957 ± 0.0009°
• β: 77.614 ± 0.0009°
• γ: 84.16 ± 0.0015°
• Cell volume: 677.89 ± 0.02 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No