Information card for entry 7720857

Structure parameters

• Formula: C14 H16 Br2 Cd N4 S2
• Calculated formula: C14 H16 Br2 Cd N4 S2
• Title of publication: Structural design principles for hybrid cadmium thiocyanate-halides containing bulky organic cations.
• Authors of publication: Milder, Alexander; Woodward, Patrick M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• a: 22.1 ± 0.002 Å
• b: 7.8037 ± 0.0007 Å
• c: 11.0731 ± 0.0008 Å
• α: 90°
• β: 94.037 ± 0.005°
• γ: 90°
• Cell volume: 1904.9 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• 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: 0.0252
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No