Information card for entry 7718409

Structure parameters

• Chemical name: copper iodide complex with bis(2-pyridyl)-t-butylphosphine (polymorph 1)
• Formula: C28 H34 Cu4 I4 N4 P2
• Calculated formula: C28 H34 Cu4 I4 N4 P2
• Title of publication: Brightly emissive octahedral Cu₄X₄ clusters showing polymorphic-dependent and mechanochromic phosphorescence.
• Authors of publication: Baranov, Andrey Yu; Doronina, Evgeniya P.; Bagryanskaya, Irina Yu; Metlina, Daria A.; Rakhmanova, Mariana I.; Taydakov, Ilya V.; Artem'ev, Alexander V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 7014 - 7022
• a: 9.4354 ± 0.0015 Å
• b: 14.921 ± 0.002 Å
• c: 13.4326 ± 0.0019 Å
• α: 90°
• β: 102.28 ± 0.005°
• γ: 90°
• Cell volume: 1847.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0412
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No