Information card for entry 2007648

Structure parameters

• Common name: bis(thiourea)cadmium iodide
• Chemical name: Bis(thiourea)cadmium Iodide
• Formula: C2 H8 Cd I2 N4 S2
• Calculated formula: C2 H8 Cd I2 N4 S2
• SMILES: [Cd]([S]=C(N)N)([S]=C(N)N)(I)I
• 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: 10.481 ± 0.002 Å
• b: 7.64 ± 0.002 Å
• c: 15.133 ± 0.004 Å
• α: 90°
• β: 91 ± 0.02°
• γ: 90°
• Cell volume: 1211.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.117
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No