Information card for entry 7007742

Structure parameters

• Formula: C28 H22 Cl4 N6 Zn2
• Calculated formula: C28 H22 Cl4 N6 Zn2
• SMILES: [Zn]1(Cl)(Cl)[n]2ccccc2c2[n]1n(cc2)Cc1cc2ccccc2cc1Cn1[n]2[Zn](Cl)(Cl)[n]3c(c2cc1)cccc3
• Title of publication: Red-shifted luminescence from naphthalene-containing ligands due to pi-stacking in self-assembled coordination cages.
• Authors of publication: Al-Rasbi, Nawal K; Sabatini, Cristiana; Barigelletti, Francesco; Ward, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 40
• Pages of publication: 4769 - 4772
• a: 9.22 ± 0.0018 Å
• b: 13.857 ± 0.003 Å
• c: 13.94 ± 0.003 Å
• α: 102.39 ± 0.03°
• β: 99.86 ± 0.03°
• γ: 106.23 ± 0.03°
• Cell volume: 1618.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No