Information card for entry 7020330

Structure parameters

• Formula: C12 H28 Cu4 I4 N4
• Calculated formula: C12 H28 Cu4 I4 N4
• 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: 27.3307 ± 0.0015 Å
• b: 14.3197 ± 0.0008 Å
• c: 14.3175 ± 0.0008 Å
• α: 90°
• β: 121.052 ± 0.002°
• γ: 90°
• Cell volume: 4800.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No