Information card for entry 2015136

Structure parameters

• Chemical name: catena-Poly[sodium [[tricyanatozinc(II)]-μ-1,4-diazobicyclo[2.2.2]octane-κ^2^N:N']]
• Formula: C9 H12 N5 Na O3 Zn
• Calculated formula: C9 H12 N5 Na O3 Zn
• Title of publication: One-dimensional zinc-based coordination polymers incorporating cyanate anions
• Authors of publication: Bond, Andrew D.; McKenzie, Christine J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m519 - m522
• a: 10.2345 ± 0.0002 Å
• b: 10.2345 ± 0.0002 Å
• c: 7.0799 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 642.23 ± 0.03 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes