Information card for entry 2203073

Structure parameters

• Common name: [CuBr~2~(C~12~H~8~N~2~)~2~]
• Chemical name: Trans-dibromobis(phenazine)copper(II)
• Formula: C24 H16 Br2 Cu N4
• Calculated formula: C24 H16 Br2 Cu N4
• SMILES: c1c2nc3ccccc3[n](c2ccc1)[Cu](Br)([n]1c2ccccc2nc2ccccc12)Br
• Title of publication: <i>trans</i>-Dibromobis(phenazine)copper(II)
• Authors of publication: Maniukiewicz, Waldemar; Bukowska-Strzyżewska, Maria; Sadowska, Maja
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m73 - m75
• a: 9.688 ± 0.002 Å
• b: 9.331 ± 0.002 Å
• c: 12.034 ± 0.002 Å
• α: 90°
• β: 102.04 ± 0.03°
• γ: 90°
• Cell volume: 1063.9 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0372
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes