Information card for entry 7134518

Structure parameters

• Formula: C228.22 H176 Cu6 N33.29 O0.36 P12 Re4
• Calculated formula: C228.219 H176 Cu6 N33.2876 O0.3562 P12 Re4
• Title of publication: Decanuclear {CuI6ReV4} clusters utilizing cyanido and nitrido molecular bridges as efficient ligand-modulated luminophores
• Authors of publication: Liberka, Michal; Gas, Piotr; Chorazy, Szymon
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 47
• Pages of publication: 8580 - 8583
• a: 17.8262 ± 0.0018 Å
• b: 19.473 ± 0.002 Å
• c: 21.915 ± 0.002 Å
• α: 111.371 ± 0.003°
• β: 99.586 ± 0.003°
• γ: 110.633 ± 0.003°
• Cell volume: 6238.7 ± 1.1 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No