Information card for entry 7048351

Structure parameters

• Chemical name: complex of copper(I) iodide with butyltri(pyridin-2-yl)phosphonium iodide
• Formula: C38 H42 Cu4 I6 N6 P2
• Calculated formula: C38 H42 Cu4 I6 N6 P2
• Title of publication: Alkyl-dependent self-assembly of the first red-emitting zwitterionic {Cu₄I₆} clusters from [alkyl-P(2-Py)₃]⁺ salts and CuI: when size matters.
• Authors of publication: Artem'ev, Alexander V.; Pritchina, Elena A.; Rakhmanova, Marianna I.; Gritsan, Nina P.; Bagryanskaya, Irina Yu; Malysheva, Svetlana F.; Belogorlova, Nataliya A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 7
• Pages of publication: 2328 - 2337
• a: 10.2369 ± 0.0013 Å
• b: 11.99 ± 0.0014 Å
• c: 12.2061 ± 0.0015 Å
• α: 118.729 ± 0.005°
• β: 93.281 ± 0.006°
• γ: 107.283 ± 0.006°
• Cell volume: 1218.1 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.076
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No