Information card for entry 4509989

Structure parameters

• Formula: C21 H20 Cd N6 O7 S
• Calculated formula: C21 H20 Cd N6 O7 S
• Title of publication: Rational Assembly of Co/Cd-MOFs Featuring Topological Variation
• Authors of publication: Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 147
• a: 10.732 ± 0.0011 Å
• b: 20.421 ± 0.002 Å
• c: 22.125 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4848.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No