Information card for entry 7055348

Structure parameters

• Formula: C38 H28 Cl2 Cu2 N6 O2
• Calculated formula: C38 H28 Cl2 Cu2 N6 O2
• SMILES: C1(=C(c2ccccc2)O[Cu]23([N]1=Nc1cccc[n]31)[Cl][Cu]13([Cl]2)[n]2ccccc2N=[N]1C(=C(c1ccccc1)O3)c1ccccc1)c1ccccc1
• Title of publication: Angle isomerism, as exemplified in a five-coordinate, dimeric copper(ii) Schiff base complex. Observation of Ostwald ripening
• Authors of publication: Patra, Shanti G.; Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 3238
• a: 7.1801 ± 0.0006 Å
• b: 10.2796 ± 0.0007 Å
• c: 12.3788 ± 0.0008 Å
• α: 99.208 ± 0.006°
• β: 95.428 ± 0.006°
• γ: 108.174 ± 0.007°
• Cell volume: 846.66 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No