Information card for entry 7038744

Structure parameters

• Formula: C49 H46 Cl2 N8 O11 Zn2
• Calculated formula: C49 H46 Cl2 N8 O11 Zn2
• SMILES: [Zn]1234[O]5[Zn]67([O]=C(O1)C)[N](CC5C[N]2(Cc1[n]3ccc2ccccc12)Cc1[n]4ccc2ccccc12)(Cc1[n]6ccc2ccccc12)Cc1[n]7ccc2ccccc12.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.N#CC
• Title of publication: OFF-ON-OFF fluorescent response of N,N,N',N'-tetrakis(1-isoquinolylmethyl)-2-hydroxy-1,3-propanediamine (1-isoHTQHPN) toward Zn(2.).
• Authors of publication: Mikata, Yuji; Ohnishi, Risa; Ugai, Anna; Konno, Hideo; Nakata, Yasushi; Hamagami, Ikuko; Sato, Shin-Ichiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7250 - 7257
• a: 18.4865 ± 0.0006 Å
• b: 12.3565 ± 0.0003 Å
• c: 21.1884 ± 0.0007 Å
• α: 90°
• β: 92.6176 ± 0.0017°
• γ: 90°
• Cell volume: 4835 ± 0.3 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 significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No