Information card for entry 7215288

Structure parameters

• Formula: C46 H38 Br2 Cd N6 O4
• Calculated formula: C46 H38 Br2 Cd N6 O4
• Title of publication: Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation
• Authors of publication: Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 5012
• a: 24.665 ± 0.002 Å
• b: 11.9542 ± 0.0011 Å
• c: 17.8777 ± 0.0018 Å
• α: 90°
• β: 112.764 ± 0.004°
• γ: 90°
• Cell volume: 4860.6 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0562
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No