Information card for entry 7241079

Structure parameters

• Formula: C15 H11 Br Cd N6 O
• Calculated formula: C15 H11 Br Cd N6 O
• Title of publication: Syntheses of four porous 3-D Cd(ii) metal‒organic frameworks from a new multidentate ligand 5-(imidazol-1-yl)-N′-(pyridin-4-ylmethylene) nicotinohydrazide and their characterization and adsorption properties
• Authors of publication: Zhu, Gui-Ying; Liu, Zhenliang; Wang, Jia; Niu, Xue; Wang, Teng; Jin, Guo-Xia; Ma, Jian-Ping
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 51
• Pages of publication: 30650 - 30655
• a: 14.1595 ± 0.0007 Å
• b: 13.7222 ± 0.0009 Å
• c: 11.8323 ± 0.0007 Å
• α: 90°
• β: 100.171 ± 0.005°
• γ: 90°
• Cell volume: 2262.9 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0424
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No