Information card for entry 7007910

Structure parameters

• Formula: C46 H40 Cl12 N6
• Calculated formula: C46 H40 Cl12 N6
• SMILES: C(N(Cc1nc2ccccc2cc1)Cc1nc2ccccc2cc1)CN(Cc1ccc2ccccc2n1)Cc1nc2ccccc2cc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Tetrakis(2-quinolinylmethyl)ethylenediamine (TQEN) as a new fluorescent sensor for zinc.
• Authors of publication: Mikata, Yuji; Wakamatsu, Motoko; Yano, Shigenobu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 3
• Pages of publication: 545 - 550
• a: 10.271 ± 0.006 Å
• b: 11.24 ± 0.007 Å
• c: 13.251 ± 0.007 Å
• α: 71.05 ± 0.02°
• β: 64.21 ± 0.02°
• γ: 74.27 ± 0.03°
• Cell volume: 1287.5 ± 1.3 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No