Information card for entry 7020332

Structure parameters

• Formula: C9 H11 Cu I N
• Calculated formula: C9 H11 Cu I N
• Title of publication: Network formation and photoluminescence in copper(I) halide complexes with substituted piperazine ligands.
• Authors of publication: Safko, Jason P.; Kuperstock, Jacob E.; McCullough, Shannon M.; Noviello, Andrew M.; Li, Xiaobo; Killarney, James P.; Murphy, Caitlin; Patterson, Howard H.; Bayse, Craig A.; Pike, Robert D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 38
• Pages of publication: 11663 - 11674
• a: 7.7387 ± 0.0003 Å
• b: 16.7925 ± 0.0005 Å
• c: 8.2424 ± 0.0003 Å
• α: 90°
• β: 110.617 ± 0.001°
• γ: 90°
• Cell volume: 1002.52 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0261
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No