Information card for entry 1575688

Structure parameters

• Formula: C56 H61.51 Cu F6 N O7.26 P3
• Calculated formula: C56 H61.508 Cu F6 N O7.254 P3
• Title of publication: Heterodinuclear Cu(I)/Mo(VI) chemistry with bifunctional dibenzobarrelene ligands.
• Authors of publication: Chandima, A. M. Buddhika; Sgro, Griffyn; Hilditch, Sierra M.; Kaluarachchige Don, Umesh I.; Ward, Cassandra L.; Anderson, Dennis P.; Herman, Limor; Gelman, Dmitri; Lord, Richard L.; Groysman, Stanislav
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 39
• Pages of publication: 14716 - 14727
• a: 12.7377 ± 0.0016 Å
• b: 14.6834 ± 0.0018 Å
• c: 15.876 ± 0.002 Å
• α: 74.36 ± 0.004°
• β: 84.718 ± 0.004°
• γ: 74.392 ± 0.004°
• Cell volume: 2753.3 ± 0.6 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: 0.1122
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2198
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No