Information card for entry 2231365

Structure parameters

• Chemical name: <i>catena</i>-Poly[(μ-2-amino-1,3,4-thiadiazole- κ^2^<i>N</i>^3^:<i>N</i>^4^)di-μ-chlorido-cadmium]
• Formula: C2 H3 Cd Cl2 N3 S
• Calculated formula: C2 H3 Cd Cl2 N3 S
• SMILES: [Cd]12[n]3[n](c(sc3)N)[Cd]([Cl]1)([Cl]2)(Cl)(Cl)[n]1nc(sc1)N
• Title of publication: <i>catena</i>-Poly[(μ-2-amino-1,3,4-thiadiazole-κ^2^<i>N</i>^3^:<i>N</i>^4^)di-μ-chlorido-cadmium]
• Authors of publication: Suen, Maw-Cherng; Yeh, Chun-Wei; Jou, Chi-Hsiung
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1082
• a: 7.7264 ± 0.0006 Å
• b: 7.2227 ± 0.0006 Å
• c: 12.7608 ± 0.0011 Å
• α: 90°
• β: 95.489 ± 0.002°
• γ: 90°
• Cell volume: 708.86 ± 0.1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes