Information card for entry 7718413

Structure parameters

• Chemical name: copper bromide complex with bis(t-butyl)(2-pyridyl)phosphine (polymorph 2)
• Formula: C26 H44 Br4 Cu4 N2 P2
• Calculated formula: C26 H44 Br4 Cu4 N2 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: 10.4818 ± 0.0004 Å
• b: 13.7042 ± 0.0005 Å
• c: 13.0297 ± 0.0004 Å
• α: 90°
• β: 96.236 ± 0.002°
• γ: 90°
• Cell volume: 1860.57 ± 0.11 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: 0.0598
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No