Information card for entry 7214934

Structure parameters

• Formula: C13 H9 Cd N5 S5
• Calculated formula: C13 H9 Cd N5 S5
• Title of publication: New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization
• Authors of publication: Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 8000
• a: 8.4933 ± 0.0017 Å
• b: 10.509 ± 0.002 Å
• c: 11.826 ± 0.002 Å
• α: 81.38 ± 0.03°
• β: 73.21 ± 0.03°
• γ: 70.39 ± 0.03°
• Cell volume: 950.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No