Information card for entry 7202550

Structure parameters

• Formula: C14 H12 Cd N10 S2
• Calculated formula: C14 H12 Cd N10 S2
• Title of publication: Towards rational design of supramolecular helices using linear pseudohalides in Cd(ii) - 2,2?-biimidazole system
• Authors of publication: Jana, Atish Dipankar; Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Mostafa, Golam; Chaudhuri, Nirmalendu Ray
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 304
• a: 15.214 ± 0.002 Å
• b: 25.819 ± 0.002 Å
• c: 19.042 ± 0.002 Å
• α: 90°
• β: 95.003 ± 0.002°
• γ: 90°
• Cell volume: 7451.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No