Information card for entry 7221845

Structure parameters

• Formula: C32 H28 Cl2 Cu N4
• Calculated formula: C32 H28 Cl2 Cu N4
• SMILES: [Cu](Cl)(Cl)([n]1cn(c(c1c1ccccc1)c1ccccc1)C)[n]1cn(c(c1c1ccccc1)c1ccccc1)C
• Title of publication: Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)
• Authors of publication: Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 39
• Pages of publication: 7510
• a: 5.8941 ± 0.0005 Å
• b: 7.5206 ± 0.0008 Å
• c: 15.7272 ± 0.001 Å
• α: 103.039 ± 0.008°
• β: 96.056 ± 0.006°
• γ: 94.487 ± 0.007°
• Cell volume: 671.62 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No