Information card for entry 7203741

Structure parameters

• Formula: C40 H36 Cl4 N6 Zn2
• Calculated formula: C40 H36 Cl4 N6 Zn2
• SMILES: C1[N]2(Cc3[n](cccc3)[Zn]2([n]2ccccc12)(Cl)Cl)Cc1c2ccccc2c(c2ccccc12)C[N]12Cc3[n](cccc3)[Zn]2([n]2c(C1)cccc2)(Cl)Cl
• Title of publication: PET fluoroionophores for Zn2+ and Cu2+: complexation and fluorescence behavior of anthracene derivatives having diethylamine, N-methylpiperazine and N,N-bis(2-picolyl)amine units
• Authors of publication: Kubo, Kanji; Mori, Akira
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Journal volume: 15
• Journal issue: 27-28
• Pages of publication: 2902
• a: 10.283 ± 0.002 Å
• b: 14.73 ± 0.003 Å
• c: 12.818 ± 0.002 Å
• α: 90°
• β: 101.67 ± 0.01°
• γ: 90°
• Cell volume: 1901.4 ± 0.6 ų
• Cell temperature: 173.1 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 significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.5419 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No