Information card for entry 7705492

Structure parameters

• Formula: C48 H36 N6 Ni2 O14
• Calculated formula: C48 H36 N6 Ni2 O14
• Title of publication: Metal organic frameworks decorated with free carboxylic acid groups: topology, metal capture and dye adsorption properties.
• Authors of publication: Ahamad, M. Naqi; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 14690 - 14705
• a: 22.4402 ± 0.001 Å
• b: 20.0572 ± 0.001 Å
• c: 19.5627 ± 0.0009 Å
• α: 90°
• β: 99.092 ± 0.002°
• γ: 90°
• Cell volume: 8694.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0835
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No