Information card for entry 7211889

Structure parameters

• Formula: C5 H5 Cd2 N9 S2
• Calculated formula: C5 H5 Cd2 N9 S2
• Title of publication: Capturing in situ generated NHCH‒NNH molecule via the templating synthesis of a 4-connected open Cd(ii) framework
• Authors of publication: Cheng, Jian-Kai; Zhang, Jian; Yin, Pei-Xiu; Lin, Qi-Pu; Li, Zhao-Ji; Yao, Yuan-Gen
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1024
• a: 10.488 ± 0.004 Å
• b: 10.212 ± 0.004 Å
• c: 11.273 ± 0.004 Å
• α: 90°
• β: 92.89 ± 0.008°
• γ: 90°
• Cell volume: 1205.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No