Information card for entry 7015517

Structure parameters

• Chemical name: bis(2-chloro-3-methylpyridine)dibromocopper (II)
• Formula: C12 H12 Br2 Cl2 Cu N2
• Calculated formula: C12 H12 Br2 Cl2 Cu N2
• SMILES: c1(c(ccc[n]1[Cu](Br)([n]1c(c(ccc1)C)Cl)Br)C)Cl
• 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: 6.0949 ± 0.0002 Å
• b: 7.4718 ± 0.0003 Å
• c: 9.5654 ± 0.0005 Å
• α: 104.579 ± 0.003°
• β: 91.809 ± 0.003°
• γ: 112.825 ± 0.002°
• Cell volume: 384.47 ± 0.03 ų
• Cell temperature: 111 ± 2 K
• Ambient diffraction temperature: 111 ± 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: 0.023
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No