Information card for entry 2003268

Structure parameters

• Chemical name: bis(thiourea)bis(benzoato)zinc(II)
• Formula: C16 H18 N4 O4 S2 Zn
• Calculated formula: C16 H18 N4 O4 S2 Zn
• SMILES: C(=O)(c1ccccc1)O[Zn]([S]=C(N)N)([S]=C(N)N)OC(=O)c1ccccc1
• Title of publication: Bis(benzoato-<i>O</i>)bis(thiourea-<i>S</i>)zinc(II)
• Authors of publication: Černák, J.; Adzimová, I.; Gérard, F.; Hardy, A.-M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 392 - 395
• a: 24.667 ± 0.004 Å
• b: 10.573 ± 0.003 Å
• c: 15.736 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4104 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for all reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.0664
• Goodness-of-fit parameter for all reflections: 0.955
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No