Information card for entry 7239381

Structure parameters

• Formula: C41 H45 Br2 Cd2 N4 O13
• Calculated formula: C41 H45 Br2 Cd2 N4 O13
• Title of publication: Structural and functional studies on ternary coordination polymers from 5-bromoisophthalate and imidazole based flexible linker
• Authors of publication: Bisht, Kamal Kumar; Rachuri, Yadagiri; Parmar, Bhavesh; Suresh, Eringathodi
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 14
• Pages of publication: 7352
• a: 11.285 ± 0.002 Å
• b: 11.947 ± 0.002 Å
• c: 32.654 ± 0.007 Å
• α: 90°
• β: 92.262 ± 0.004°
• γ: 90°
• Cell volume: 4399 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1036
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No