Information card for entry 4506564

Structure parameters

• Formula: C45 H38 Br3 Cu3 N8 O6
• Calculated formula: C45 H34 Br3 Cu3 N8 O6
• 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: 20.984 ± 0.003 Å
• b: 21.858 ± 0.003 Å
• c: 20.929 ± 0.003 Å
• α: 90°
• β: 111.872 ± 0.005°
• γ: 90°
• Cell volume: 8908 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1406
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No