Information card for entry 7114828

Structure parameters

• Formula: C8 H15 Cd1.5 Cl5 N4 O6 S
• Calculated formula: C8 H15 Cd1.5 Cl5 N4 O6.01 S
• Title of publication: An approach to the synthesis of organically templated open-framework metal sulfates by the amine‒sulfate route
• Authors of publication: Choudhury, Amitava; Krishnamoorthy, Jayaraman; Rao, C. N. R.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 2610
• a: 12.578 ± 0.002 Å
• b: 13.093 ± 0.004 Å
• c: 13.006 ± 0.003 Å
• α: 90°
• β: 94.58 ± 0.02°
• γ: 90°
• Cell volume: 2135 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.0864
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No