Information card for entry 2007646

Structure parameters

• Common name: bis(thiourea)cadmium chloride
• Chemical name: Bis(thiourea)cadmium Chloride
• Formula: C2 H8 Cd Cl2 N4 S2
• Calculated formula: C2 H8 Cd Cl2 N4 S2
• SMILES: C(N)(=[S][Cd](Cl)(Cl)[S]=C(N)N)N
• Title of publication: Bis(thiourea)cadmium Halides
• Authors of publication: Celia Marcos; José M. Alía; Victor Adovasio; Manuel Prieto; Santiago García-Granda
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1225 - 1229
• a: 13.148 ± 0.005 Å
• b: 5.834 ± 0.001 Å
• c: 6.501 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 498.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for all reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0397
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No