Information card for entry 7061850

Structure parameters

• Chemical name: trans-bis(2,5-diiodopyridine)dichlorocopper(II)
• Formula: C10 H6 Cl2 Cu I4 N2
• Calculated formula: C10 H6 Cl2 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: 6.679 ± 0.004 Å
• b: 8.508 ± 0.007 Å
• c: 8.869 ± 0.006 Å
• α: 70.54 ± 0.07°
• β: 72.42 ± 0.06°
• γ: 88.46 ± 0.06°
• Cell volume: 451.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0541
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0776
• 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: No