Information card for entry 7005398

Structure parameters

• Formula: C6 H8 Cu I N2
• Calculated formula: C6 H8 Cu I N2
• Title of publication: Synthesis, crystal structure, thermal and luminescence properties of CuX(2,3-dimethylpyrazine) (X=Cl, Br, I) coordination polymers.
• Authors of publication: Jess, Inke; Taborsky, Petr; Pospísil, Jirí; Näther, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 22
• Pages of publication: 2263 - 2270
• a: 9.8505 ± 0.0005 Å
• b: 12.8482 ± 0.0007 Å
• c: 13.5837 ± 0.0008 Å
• α: 90°
• β: 103.152 ± 0.006°
• γ: 90°
• Cell volume: 1674.08 ± 0.16 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 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: 0.0645
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No