Information card for entry 7720852

Structure parameters

• Formula: C9 H10 Br Cd N3 S2
• Calculated formula: C9 H10 Br Cd N3 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: 5.8458 ± 0.0003 Å
• b: 10.1305 ± 0.0006 Å
• c: 12.1382 ± 0.0006 Å
• α: 79.52 ± 0.002°
• β: 80.742 ± 0.002°
• γ: 76.902 ± 0.002°
• Cell volume: 683.06 ± 0.06 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• 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