Information card for entry 7059303

Structure parameters

• Formula: C12 H11 Br N2 O2
• Calculated formula: C12 H11 Br N2 O2
• Title of publication: Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions
• Authors of publication: Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4158 - 4170
• a: 6.6242 ± 0.0002 Å
• b: 21.6424 ± 0.0006 Å
• c: 8.2186 ± 0.0003 Å
• α: 90°
• β: 104.05 ± 0.001°
• γ: 90°
• Cell volume: 1143 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0319
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No