Information card for entry 7055347

Structure parameters

• Formula: C38 H28 Cl2 Cu2 N6 O2
• Calculated formula: C38 H28 Cl2 Cu2 N6 O2
• SMILES: c1cccc2[n]1[Cu]13([Cl][Cu]45([Cl]3)[n]3ccccc3N=[N]5C(=C(c3ccccc3)O4)c3ccccc3)[N](C(=C(c3ccccc3)O1)c1ccccc1)=N2
• 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: 21.798 ± 0.003 Å
• b: 9.7924 ± 0.0009 Å
• c: 17.18 ± 0.003 Å
• α: 90°
• β: 111.803 ± 0.018°
• γ: 90°
• Cell volume: 3404.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No