Information card for entry 1575687

Structure parameters

• Formula: C49.93 H41.77 Cu D17.8 F6 O6 P3 S3.97
• Calculated formula: C47.9264 H35.773 Cu D17.8032 F6 O4.9992 P3 S2.9672
• 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: 13.1992 ± 0.0008 Å
• b: 13.8549 ± 0.0009 Å
• c: 15.7166 ± 0.0009 Å
• α: 77.997 ± 0.002°
• β: 88.205 ± 0.002°
• γ: 70.621 ± 0.002°
• Cell volume: 2649.8 ± 0.3 ų
• Cell temperature: 101 K
• Ambient diffraction temperature: 101 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No