Information card for entry 7221855

Structure parameters

• Formula: C32 H27 Cu N7 O6
• Calculated formula: C32 H27 Cu N7 O6
• SMILES: c1[nH]c(c(c2ccccc2)[n]1[Cu]1(ON(=[O]1)=O)([n]1c[nH]c(c1c1ccccc1)c1ccccc1)ON(=O)=O)c1ccccc1.C(#N)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: 15.4267 ± 0.0006 Å
• b: 18.0947 ± 0.0007 Å
• c: 21.1309 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5898.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No