Information card for entry 7219514

Structure parameters

• Formula: C13 H7 Cd N O4
• Calculated formula: C13 H7 Cd N O4
• Title of publication: Guest-induced single-crystal-to-single-crystal transformations of a new 4-connected 3D cadmium(II) metal‒organic framework
• Authors of publication: Li, Shi-Hui; Han, Min-Le; Liu, Guangzhen; Ma, Lufang; Wang, Liya
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 30 ± 0.03 Å
• b: 30 ± 0.03 Å
• c: 7.554 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5888 ± 13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2849
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.236
• Weighted residual factors for all reflections included in the refinement: 0.3685
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No