Information card for entry 8106053

Structure parameters

• Formula: C28 H32 N18 O6 Zn
• Calculated formula: C28 H32 N18 O6 Zn
• Title of publication: Crystal structure of (OC-6-13)-diaqua-bis(3,5-di(pyridin-3-yl)-4H-1,2,4-triazol-4-amine-κ1 N)-bis(dicyanamido-κ1 N)zinc(II) tetrahydrate, ZnC28H32N18O6
• Authors of publication: Wang, Xue-Yuan; Zhu, Xia; Lu, Xin; Wang, Jian-Qiao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 1
• Pages of publication: 85 - 86
• a: 10.472 ± 0.002 Å
• b: 21.668 ± 0.004 Å
• c: 8.1282 ± 0.0015 Å
• α: 90°
• β: 105.763 ± 0.005°
• γ: 90°
• Cell volume: 1775 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No