Information card for entry 4513428

Structure parameters

• Common name: [(2-BrPy)2Cu2Cl6]n
• Formula: C10 H8 Br2 Cl6 Cu3 N2
• Calculated formula: C10 H8 Br2 Cl6 Cu3 N2
• Title of publication: Dual Behavior of Bromine Atoms in Supramolecular Chemistry: The Crystal Structure and Magnetic Properties of Two Copper(II) Coordination Polymers
• Authors of publication: Awwadi, Firas F.; Willett, Roger D.; Twamley, Brendan; Turnbull, Mark M.; Landee, Christopher P.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3746
• a: 7.4469 ± 0.0015 Å
• b: 15.272 ± 0.003 Å
• c: 9.1109 ± 0.0018 Å
• α: 90°
• β: 109.39 ± 0.03°
• γ: 90°
• Cell volume: 977.4 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No