Information card for entry 7202735

Structure parameters

• Formula: C34 H30 Cd2 N10 S6
• Calculated formula: C34 H30 Cd2 N10 S6
• Title of publication: Polypseudorotaxane architecture of poly-bis[4-(N-benzyl- pyridinium)]piperazine-hexa-thiocyanato-di-cadmium(ii) with 2-D honeycomb-like [Cd(SCN)3]nn? anionic polymeric framework
• Authors of publication: Lai, Long-Li; Wu, Chun-Han; Lu, Kuang-Lieh; Wen, Yu-Shen; Liu, Yi-Hung; Wang, Yu; Cheng, Kung-Lung; Soldatov, Dmitriy V.; Yu, Zhi; Yu, Kui
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 345
• a: 20.8688 ± 0.0006 Å
• b: 18.5411 ± 0.0005 Å
• c: 9.8944 ± 0.0003 Å
• α: 90°
• β: 94.905 ± 0.001°
• γ: 90°
• Cell volume: 3814.42 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0219
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No