Information card for entry 7711648

Structure parameters

• Formula: C46 H42 Cl2 N8 O9 Zn
• Calculated formula: C46 H42 Cl2 N8 O9 Zn
• SMILES: [Zn]12345Oc6cccc7ccc([n]3c67)C[N]1(CC[N]2(Cc1[n]5c2ccccc2cc1)Cc1[nH+]c2ccccc2cc1)Cc1[n]4c2ccccc2cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.N#CC
• Title of publication: Cd²⁺-selective fluorescence response of TQEN (<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-quinolylmethyl)ethylenediamine) derivatives bearing ether oxygen-binding sites.
• Authors of publication: Mikata, Yuji; Kaneda, Minori; Yonemura, Shizuka; Akedo, Miyu; Konno, Hideo; Matsuo, Takashi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• a: 10.352 ± 0.002 Å
• b: 12.177 ± 0.003 Å
• c: 20.024 ± 0.004 Å
• α: 68.874 ± 0.005°
• β: 71.806 ± 0.007°
• γ: 84.582 ± 0.008°
• Cell volume: 2236.3 ± 0.8 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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: 0.0916
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No