Information card for entry 7720853

Structure parameters

• Formula: C7 H14 Cd Cl N3 S2
• Calculated formula: C7 H14 Cd Cl 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: 5.8644 ± 0.0002 Å
• b: 9.7409 ± 0.0004 Å
• c: 12.1164 ± 0.0005 Å
• α: 79.447 ± 0.001°
• β: 78.168 ± 0.001°
• γ: 79.137 ± 0.001°
• Cell volume: 657.74 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0198
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• 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: Yes
• Has Fobs: No