Information card for entry 2019674

Structure parameters

• Chemical name: Poly[[(μ~4~-5-aminotetrazolato-\ κ^4^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^:<i>N</i>^4^:)chlorido-μ~3~-\ hydroxido-(μ~3~-isonicotinato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>')dicadmium(II)] 0.14-hydrate]
• Formula: C7 H7.28 Cd2 Cl N6 O3.14
• Calculated formula: C7 H7 Cd2 Cl N6 O3.142
• Title of publication: A pillared framework coordination polymer based on the Cd~3~(μ~3~-OH) unit: poly[[(μ~4~-5-aminotetrazolato-κ^4^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^:<i>N</i>^4^)chlorido-μ~3~-hydroxido-(μ~3~-isonicotinato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>')dicadmium(II)] 0.14-hydrate]
• Authors of publication: Wang, Yao; Guan, Ying-Fang; Liu, Jian-Jun; Huang, Chang-Cang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 983 - 986
• a: 19.479 ± 0.004 Å
• b: 6.9971 ± 0.0014 Å
• c: 13.235 ± 0.003 Å
• α: 90°
• β: 132.52 ± 0.03°
• γ: 90°
• Cell volume: 1329.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0184
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.0395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes