Information card for entry 7222380

Structure parameters

• Formula: C29 H21 N5 O3
• Calculated formula: C29 H21 N5 O3
• Title of publication: Detection of Copper (II) and Aluminium (III) by a new bis-benzimidazole Schiff base in aqueous media via distinct routes
• Authors of publication: Kumar, Ashish; Kumar, Amit; Dubey, Mrigendra; Biswas, Arnab; Pandey, Shankar
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 28.2864 ± 0.0011 Å
• b: 28.2864 ± 0.0011 Å
• c: 13.3571 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10687.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2152
• Weighted residual factors for all reflections included in the refinement: 0.2301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No