Information card for entry 4321511

Structure parameters

• Formula: C4 H4 Br Cu N2
• Calculated formula: C4 H4 Br2 Cu2 N2
• Title of publication: Coordination Polymers of Copper(I) Halides
• Authors of publication: Peter M. Graham; Robert D. Pike; Michal Sabat; Rosa D. Bailey; William T. Pennington
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5121 - 5132
• a: 3.986 ± 0.003 Å
• b: 6.579 ± 0.005 Å
• c: 11.399 ± 0.001 Å
• α: 90°
• β: 96.621 ± 0.003°
• γ: 90°
• Cell volume: 296.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections: 1.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No