Information card for entry 2016524

Structure parameters

• Chemical name: poly[bis(μ-thiocyanato-κ^2^N:S)tetrakis(thiocyanato-κN)tetrakis(μ-4,4'- bi-1,2,4-triazole-κ^2^N^1^:N^1'^)tricadmium(II)]
• Formula: C22 H16 Cd3 N30 S6
• Calculated formula: C22 H16 Cd3 N30 S6
• Title of publication: Copper(II) and cadmium(II) isothiocyanate coordination polymers with 4,4'-bi-1,2,4-triazole
• Authors of publication: Govor, Evgeniy V.; Lysenko, Andrey B.; Domasevitch, Konstantin V.; Rusanov, Eduard B.; Chernega, Alexander N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m117 - m120
• a: 7.092 ± 0.001 Å
• b: 10.4867 ± 0.0018 Å
• c: 13.836 ± 0.002 Å
• α: 87.44 ± 0.018°
• β: 81.158 ± 0.016°
• γ: 82.847 ± 0.011°
• Cell volume: 1008.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes