Information card for entry 7015519

Structure parameters

• Chemical name: bis(2-bromo-3-methylpyridine)dibromocopper (II)
• Formula: C12 H12 Br4 Cu N2
• Calculated formula: C12 H12 Br4 Cu N2
• SMILES: Br[Cu]([n]1c(Br)c(ccc1)C)([n]1c(c(ccc1)C)Br)Br
• Title of publication: Copper(II) complexes of 2-halo-3-methylpyridine: synthesis, structure, and magnetic behaviour of Cu(2-X-3-CH(3)py)2X'2 [X, X' = chlorine or bromine; py = pyridine].
• Authors of publication: Herringer, Susan N.; Turnbull, Mark M.; Landee, Christopher P.; Wikaira, Jan L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 16
• Pages of publication: 4242 - 4252
• a: 6.244 ± 0.0002 Å
• b: 7.4588 ± 0.0003 Å
• c: 9.5897 ± 0.0004 Å
• α: 104.777 ± 0.002°
• β: 90.043 ± 0.002°
• γ: 114.151 ± 0.002°
• Cell volume: 391.24 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0214
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No