Information card for entry 7027372

Structure parameters

• Formula: C31 H42 Cu F6 N3 P2
• Calculated formula: C31 H42 Cu F6 N3 P2
• Title of publication: A new route to (N)n-donor functionalised phosphines; novel homo- and hetero-nuclear complexes of a phosphino-substituted triazacyclononane ligand
• Authors of publication: Watkins, Scott E.; Yang, Xinhao; Craig, Donald C.; Colbran, Stephen B.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 1539
• a: 15.091 ± 0.006 Å
• b: 14.532 ± 0.003 Å
• c: 17.99 ± 0.009 Å
• α: 90°
• β: 123.87 ± 0.02°
• γ: 90°
• Cell volume: 3276 ± 2 ų
• Cell temperature: 294 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.69
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No