Information card for entry 4506566

Structure parameters

• Formula: C20 H18 Br2 Cu N4 O2
• Calculated formula: C20 H14 Br2 Cu N4 O2
• Title of publication: Design and Synthesis of Mixed Valent Coordination Networks Containing Pyridine Appended Terpyridyl, Halide, and Dicarboxylates
• Authors of publication: Banerjee, Kaustuv; Biradha, Kumar
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4264
• a: 8.6674 ± 0.0008 Å
• b: 10.805 ± 0.0011 Å
• c: 21.815 ± 0.002 Å
• α: 90°
• β: 99.205 ± 0.003°
• γ: 90°
• Cell volume: 2016.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No