Information card for entry 7057225

Structure parameters

• Formula: C10 H6 Br2 Cl4 Cu N2
• Calculated formula: C10 H6 Br2 Cl4 Cu N2
• Title of publication: May halogen bonding interactions compete with Cu⋯Cl semi-coordinate bonds? Structural, magnetic and theoretical studies of two polymorphs of trans-bis(5-bromo-2-chloro pyridine)dichlorocopper(ii) and trans-bis(2,5-dichloropyridine)dichlorocopper(ii)
• Authors of publication: Awwadi, Firas F.; Turnbull, Mark M.; Alwahsh, Manal I.; Haddad, Salim F.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 10642
• a: 15.5239 ± 0.0016 Å
• b: 14.3008 ± 0.0008 Å
• c: 7.9558 ± 0.0007 Å
• α: 90°
• β: 118.373 ± 0.012°
• γ: 90°
• Cell volume: 1554 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No