Information card for entry 7234964

Structure parameters

• Formula: C8 H7 Cd N3 S2
• Calculated formula: C8 H7 Cd N3 S2
• Title of publication: Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state
• Authors of publication: Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 2
• Pages of publication: 184 - 194
• a: 5.8783 ± 0.0005 Å
• b: 10.3023 ± 0.001 Å
• c: 10.5662 ± 0.001 Å
• α: 71.108 ± 0.011°
• β: 78.415 ± 0.011°
• γ: 74.975 ± 0.011°
• Cell volume: 579.92 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No