Information card for entry 4515111

Structure parameters

• Formula: C16 H16 N14 O6 Zn
• Calculated formula: C16 H16 N14 O6 Zn
• SMILES: c1cccc2c3[n](c(nc(n3)N)N)[Zn]3([n]12)(ON(=O)=O)([n]1ccccc1c1[n]3c(nc(n1)N)N)ON(=O)=O
• Title of publication: Programmed Molecular Construction: Driving the Self-Assembly by Coordination and Hydrogen Bonds Using 6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine with M(NO₃)₂ Salts.
• Authors of publication: Rajak, Sanil; Mohan, Midhun; A Tremblay, Alexandre; Maris, Thierry; Leal do Santos, Silvano; Venancio, Everaldo Carlos; Ferreira Santos, Sydney; Duong, Adam
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 2708 - 2718
• a: 9.0912 ± 0.0001 Å
• b: 11.4484 ± 0.0002 Å
• c: 19.9334 ± 0.0003 Å
• α: 90°
• β: 94.019 ± 0.001°
• γ: 90°
• Cell volume: 2069.56 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No