Information card for entry 2019896

Structure parameters

• Chemical name: Poly[[(μ~2~-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)(hydroxido-κ<i>O</i>)(μ~4~-5-nicotinamido-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^5^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^:<i>N</i>^5^)(μ~3~-5-nicotinamido-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^4^<i>N</i>^1^,<i>O</i>:<i>N</i>^2^:<i>N</i>^4^:<i>N</i>^5^)dicadmium(II)] 0.75-hydrate]
• Formula: C16 H15.5 Cd2 N12 O5.75
• Calculated formula: C16 H14 Cd2 N12 O5.75
• Title of publication: A three-dimensional cadmium(II) coordination polymer with unequal homochiral double-stranded concentric helical chains
• Authors of publication: Shi, Wei; Liu, Jian-Jun; Ou, Xiang-Ping; Huang, Chang-Cang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• a: 13.3384 ± 0.0019 Å
• b: 13.3384 ± 0.0019 Å
• c: 24.957 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3845.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes