Information card for entry 2229225

Structure parameters

• Chemical name: Bis(2,1,3-benzoselenadiazole-κ<i>N</i>)dibromidocopper(II)
• Formula: C12 H8 Br2 Cu N4 Se2
• Calculated formula: C12 H8 Br2 Cu N4 Se2
• SMILES: [Cu](Br)(Br)([n]1[se]nc2c1cccc2)[n]1[se]nc2c1cccc2
• Title of publication: Bis(2,1,3-benzoselenadiazole-κ<i>N</i>)dibromidocopper(II)
• Authors of publication: Fun, Hoong-Kun; Goh, Jia Hao; Maity, Annada C.; Goswami, Shyamaprosad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m181 - m182
• a: 8.3406 ± 0.0001 Å
• b: 9.5853 ± 0.0001 Å
• c: 10.2908 ± 0.0001 Å
• α: 94.627 ± 0.001°
• β: 109.64 ± 0.001°
• γ: 102.69 ± 0.001°
• Cell volume: 745.165 ± 0.016 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0493
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes