Information card for entry 7209513

Structure parameters

• Common name: trans-Bis(2,5-dibromopyridine)dichlorocopper(ii)
• Chemical name: trans-Bis(2,5-dibromopyridine)dichlorocopper(II)
• Formula: C10 H6 Br4 Cl2 Cu N2
• Calculated formula: C10 H6 Br4 Cl2 Cu N2
• SMILES: c1(Br)ccc(c[n]1[Cu](Cl)([n]1c(ccc(c1)Br)Br)Cl)Br
• Title of publication: Copper‒halide bonds as magnetic tunnels; structural, magnetic and theoretical studies of trans-bis(2,5-dibromopyridine)dihalo copper(ii) and trans-bis(2-bromopyridine)dibromo copper(ii)
• Authors of publication: Awwadi, Firas F.; Haddad, Salim F.; Turnbull, Mark M.; Landee, Christopher P.; Willett, Roger D.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 3111
• a: 8.3173 ± 0.0013 Å
• b: 12.847 ± 0.002 Å
• c: 14.61 ± 0.003 Å
• α: 90°
• β: 90.868 ± 0.008°
• γ: 90°
• Cell volume: 1560.9 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No