Information card for entry 7239383

Structure parameters

• Formula: C25 H25 Br N4 Ni O5
• Calculated formula: C25 H25 Br N4 Ni O5
• 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: 9.32 ± 0.003 Å
• b: 10.402 ± 0.003 Å
• c: 13.855 ± 0.005 Å
• α: 76.135 ± 0.006°
• β: 75.941 ± 0.006°
• γ: 71.167 ± 0.006°
• Cell volume: 1214 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1318
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No