Information card for entry 7056731

Structure parameters

• Formula: C58 H58 Cd3 N8 O15
• Calculated formula: C58 H58 Cd3 N8 O15
• Title of publication: Highly Effective Brønsted Base/Lewis Acid Cooperative Catalysis: A new Cd metal-organic framework for synthesis of Hantzsch 1, 4-DHPs at ambient temperature
• Authors of publication: Rouhani, Farzaneh; Morsali, Ali
• Journal of publication: New Journal of Chemistry
• Year of publication: 2017
• a: 32.476 ± 0.008 Å
• b: 11.761 ± 0.002 Å
• c: 16.74 ± 0.003 Å
• α: 90°
• β: 112.62 ± 0.03°
• γ: 90°
• Cell volume: 5902 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.166
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No