Information card for entry 7716539

Structure parameters

• Formula: C37 H30 N7 Re3 Se4
• Calculated formula: C37 H30 N7 Re3 Se4
• Title of publication: Emissive supramolecular ionic crystals combining a red-NIR phosphorescent [Re₆Se₈CN₆]^4- cluster anion and a blue fluorescent tetraphenylethene counter-cation.
• Authors of publication: Kashnik, Ilya V.; Cordier, Marie; Brylev, Konstantin A.; Bouit, Pierre-Antoine; Cordier, Stéphane; Molard, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 29
• Pages of publication: 12047 - 12051
• a: 13.3821 ± 0.0014 Å
• b: 14.4273 ± 0.0015 Å
• c: 16.1242 ± 0.0016 Å
• α: 114.579 ± 0.004°
• β: 94.841 ± 0.004°
• γ: 102.837 ± 0.004°
• Cell volume: 2704.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No