Information card for entry 7030909

Structure parameters

• Formula: C32 H48 Cu2 I4 K2 O12
• Calculated formula: C32 H48 Cu2 I4 K2 O12
• SMILES: [O]12[K]3456[O](c7c1cccc7)CC[O]3CC[O]4CC[O]5CC[O]6CC2.[O]12[K]3456[O](c7c1cccc7)CC[O]3CC[O]4CC[O]5CC[O]6CC2.[Cu]12(I)[I][Cu]1(I)[I]2
• Title of publication: A white phosphorescent coordination polymer with Cu2I2 alternating units linked by benzo-18-crown-6.
• Authors of publication: Wu, Fengshou; Tong, Hongbo; Li, Zaoying; Lei, Wang; Liu, Li; Wong, Wai-Yeung; Wong, Wai-Kwok; Zhu, Xunjin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 33
• Pages of publication: 12463 - 12466
• a: 9.382 ± 0.005 Å
• b: 9.764 ± 0.004 Å
• c: 12.821 ± 0.005 Å
• α: 92.459 ± 0.005°
• β: 93.353 ± 0.006°
• γ: 109.055 ± 0.005°
• Cell volume: 1105.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No