Information card for entry 7711647

Structure parameters

• Formula: C44 H40 Cd Cl2 N6 O10
• Calculated formula: C44 H40 Cd Cl2 N6 O10
• SMILES: [Cd]12345[N](CC[N]1(Cc1[n]4c4ccccc4cc1)Cc1[n]5c4ccccc4cc1)(Cc1[n]2c2c(OCOC)cccc2cc1)Cc1[n]3c2ccccc2cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 12.1523 ± 0.0006 Å
• b: 16.5107 ± 0.0015 Å
• c: 20.3375 ± 0.0013 Å
• α: 90°
• β: 94.16 ± 0.003°
• γ: 90°
• Cell volume: 4069.8 ± 0.5 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No