Information card for entry 7026954

Structure parameters

• Formula: C19.5 H27 Cd1.5 N3 O15 S3
• Calculated formula: C19.5 H33 Cd1.5 N3 O15 S3
• Title of publication: Two cationic metal-organic frameworks based on cadmium and α,ω-alkanedisulfonate anions and their photoluminescent properties.
• Authors of publication: Fei, Honghan; Oliver, Scott R. J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 46
• Pages of publication: 11193 - 11200
• a: 11.781 ± 0.001 Å
• b: 11.781 ± 0.001 Å
• c: 12.6868 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1524.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No