Information card for entry 2017786

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(2,2'-diamino-4,4'-bithiazole){μ~3~-<i>cis</i>-<i>N</i>- (2-carboxylatophenyl)-<i>N</i>'-[3- (dimethylamino)propyl]oxamidato(3-)}dicopper(II)] nitrate 0.6-hydrate]
• Formula: C20 H23.2 Cu2 N8 O7.6 S2
• Calculated formula: C20 H23.2 Cu2 N8 O7.6 S2
• Title of publication: <i>catena</i>-Poly[[(2,2'-diamino-4,4'-bithiazole){μ~3~-<i>cis</i>-<i>N</i>-(2-carboxylatophenyl)-<i>N</i>'-[3-(dimethylamino)propyl]oxamidato(3{-})}dicopper(II)] nitrate 0.6-hydrate]
• Authors of publication: Nie, Jin-Ju; Li, Yan-Tuan; Wu, Zhi-Yong; Li, Xiao-Wen; Yan, Cui-Wei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m323 - m326
• a: 12.6991 ± 0.0003 Å
• b: 14.0263 ± 0.0003 Å
• c: 15.03 ± 0.0003 Å
• α: 90°
• β: 107.103 ± 0.002°
• γ: 90°
• Cell volume: 2558.77 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes