Information card for entry 7028340

Structure parameters

• Formula: C37 H40 Cl2 N6 O9 Zn
• Calculated formula: C37 H36 Cl2 N6 O9 Zn
• Title of publication: Quinoline-attached triazacyclononane (TACN) derivatives as fluorescent zinc sensors.
• Authors of publication: Mikata, Yuji; Nodomi, Yuki; Kizu, Asako; Konno, Hideo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 4
• Pages of publication: 1684 - 1690
• a: 17.721 ± 0.003 Å
• b: 19.269 ± 0.003 Å
• c: 21.462 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7329 ± 2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No