Information card for entry 7061847

Structure parameters

• Chemical name: trans-Bis(2,5-diiodopyridine)dibromocopper(II)
• Formula: C10 H6 Br2 Cu I4 N2
• Calculated formula: C10 H6 Br2 Cu I4 N2
• Title of publication: Polymorphism and isomorphism in trans-bis(2,5-diiodopyridine)dihalocopper(ii) complexes: theoretical and crystallographic studies
• Authors of publication: Alwahsh, Manal I.; Awwadi, Firas F.; Kailani, Mohammed H.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 39
• Pages of publication: 19024 - 19035
• a: 6.6555 ± 0.0008 Å
• b: 8.5691 ± 0.0018 Å
• c: 16.085 ± 0.002 Å
• α: 90°
• β: 98.12 ± 0.013°
• γ: 90°
• Cell volume: 908.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No