Information card for entry 2209740

Structure parameters

• Chemical name: Bis[triaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)isonicotinatozinc(II)] bis(isonicotinate) diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)bis(isonicotinato)zinc(II) tetrahydrate
• Formula: C54 H66 N18 O24 S6 Zn3
• Calculated formula: C54 H66 N18 O24 S6 Zn3
• Title of publication: Bis[triaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)isonicotinatozinc(II)] bis(isonicotinate) diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)bis(isonicotinato)zinc(II) tetrahydrate
• Authors of publication: Bing-Xin Liu; Hui-Gen Yan; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1969 - m1971
• a: 36.196 ± 0.003 Å
• b: 10.1184 ± 0.0009 Å
• c: 20.441 ± 0.0017 Å
• α: 90°
• β: 108.967 ± 0.012°
• γ: 90°
• Cell volume: 7080 ± 1.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.049
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes