Information card for entry 7030908

Structure parameters

• Formula: C12 H24 Cl2 Cu K O6
• Calculated formula: C12 H24 Cl2 Cu K O6
• SMILES: C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[K]23456.[Cu](Cl)Cl
• 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: 8.7001 ± 0.0008 Å
• b: 8.1573 ± 0.0007 Å
• c: 13.828 ± 0.0012 Å
• α: 90°
• β: 102.88 ± 0.002°
• γ: 90°
• Cell volume: 956.67 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No