Information card for entry 7034533

Structure parameters

• Formula: C33 H30 Cd Cl2 N4 O11
• Calculated formula: C33 H30 Cd Cl2 N4 O11
• SMILES: [Cd]1234[O](c5cccc6ccc([n]2c56)C[N]1(Cc1[n]3c2c(OC)cccc2cc1)Cc1[n]4c2c(OC)cccc2cc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Tris(8-methoxy-2-quinolylmethyl)amine (8-MeOTQA) as a highly fluorescent Zn(2+) probe prepared by convenient C3-symmetric tripodal amine synthesis.
• Authors of publication: Mikata, Yuji; Nodomi, Yuki; Ohnishi, Risa; Kizu, Asako; Konno, Hideo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 8021 - 8030
• a: 18.248 ± 0.005 Å
• b: 11.367 ± 0.003 Å
• c: 15.943 ± 0.004 Å
• α: 90°
• β: 95.105 ± 0.003°
• γ: 90°
• Cell volume: 3293.9 ± 1.5 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: 0.0506
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No