Information card for entry 7234313

Structure parameters

• Formula: C30 H33 Cl2 Cu2 N5 O6
• Calculated formula: C30 H33 Cl2 Cu2 N5 O6
• Title of publication: Chloranilate bridged dinuclear copper(II) complexes: Syn-anti geometry tuned by steric factor and supramolecular interactions
• Authors of publication: Kar, Paramita; Franconetti, Antonio; Ghosh, Ashutosh; Frontera, Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 9.4213 ± 0.0009 Å
• b: 10.8123 ± 0.001 Å
• c: 17.2301 ± 0.0015 Å
• α: 86.303 ± 0.002°
• β: 76.51 ± 0.002°
• γ: 66.74 ± 0.002°
• Cell volume: 1567.3 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0917
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1896
• 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