Information card for entry 7102519

Structure parameters

• Common name: N,N'-dimethyl-4,4'-bipyridinium cadmium-thiocyanate
• Formula: C16 H14 Cd N6 S4
• Calculated formula: C16 H14 Cd N6 S4
• Title of publication: Novel hybrid hetero-sandwich architectures via stoichiometric control of host-guest self-organization.
• Authors of publication: Yu, Zhi; Yu, Kui; Lai, Longli; Udachin, Kostantin A; Zhu, Haoguo; Tao, Jianqin; You, Xiaozeng; Ströbele, Markus; Meyer, H-Jürgen; Ripmeester, John A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 648 - 649
• a: 11.7284 ± 0.0006 Å
• b: 13.294 ± 0.0007 Å
• c: 13.2404 ± 0.0007 Å
• α: 90°
• β: 93.785 ± 0.001°
• γ: 90°
• Cell volume: 2059.91 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0459
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No