Information card for entry 1573940

Structure parameters

• Formula: C54 H60.7 Cu F6 N4.4 O6.55 P
• Calculated formula: C54 H60.7 Cu F6 N4.4 O6.55 P
• Title of publication: Unusually air-stable copper(i) complexes showing high selectivity for carbon monoxide.
• Authors of publication: Saeednia, Borna; Sragow, Aria M.; Lin, Yannan; Sheehan, Colton J.; Metlay, Amy S.; Gau, Michael R.; Dye, Samantha A.; O'Konski, Sarah P; Mallouk, Thomas E.; Dmochowski, Ivan J.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 5058 - 5063
• a: 11.8395 ± 0.0006 Å
• b: 14.4553 ± 0.0007 Å
• c: 15.7362 ± 0.0008 Å
• α: 70.349 ± 0.002°
• β: 82.732 ± 0.002°
• γ: 88.868 ± 0.002°
• Cell volume: 2515.2 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0665
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No