Information card for entry 7209512

Structure parameters

• Common name: trans-Bis(2,5-dibromopyridine)dibromocopper(ii)
• Chemical name: trans-Bis(2,5-dibromopyridine)dibromocopper(II)
• Formula: C10 H6 Br6 Cu N2
• Calculated formula: C10 H6 Br6 Cu N2
• SMILES: Br[Cu](Br)([n]1c(Br)ccc(c1)Br)[n]1c(ccc(c1)Br)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: 6.3071 ± 0.001 Å
• b: 8.0751 ± 0.0014 Å
• c: 8.5714 ± 0.0011 Å
• α: 104.521 ± 0.013°
• β: 94.539 ± 0.01°
• γ: 102.964 ± 0.011°
• Cell volume: 407.57 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No