Information card for entry 7005397

Structure parameters

• Formula: C18 H24 Cu2 I2 N6
• Calculated formula: C18 H24 Cu2 I2 N6
• 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: 14.2001 ± 0.0012 Å
• b: 11.2746 ± 0.0006 Å
• c: 14.3556 ± 0.001 Å
• α: 90°
• β: 101.345 ± 0.009°
• γ: 90°
• Cell volume: 2253.4 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No