Information card for entry 7707453

Structure parameters

• Formula: C5 H4 Br2 Cu N
• Calculated formula: C5 H4 Br2 Cu N
• Title of publication: Convenient synthesis of copper(I) halide quasi-one-dimensional coordination polymers: their structures and solid-state luminescent properties.
• Authors of publication: Masahara, Shingo; Yokoyama, Hiromichi; Suzaki, Yuji; Ide, Tomohito
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 25
• Pages of publication: 8889 - 8898
• a: 8.7546 ± 0.0003 Å
• b: 3.9106 ± 0.0001 Å
• c: 21.0487 ± 0.0007 Å
• α: 90°
• β: 100.957 ± 0.004°
• γ: 90°
• Cell volume: 707.48 ± 0.04 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No