Information card for entry 7034639

Structure parameters

• Formula: C51 H39 Cu F6 N3 O P3
• Calculated formula: C51 H39 Cu F6 N3 O P3
• Title of publication: [Cu(N^N)(P^P)](+) complexes with 2,2':6',2''-terpyridine ligands as the N^N domain.
• Authors of publication: Murray, Niamh S.; Keller, Sarah; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Prescimone, Alessandro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7626 - 7633
• a: 25.8524 ± 0.0015 Å
• b: 13.7588 ± 0.0008 Å
• c: 27.0506 ± 0.0016 Å
• α: 90°
• β: 111.601 ± 0.002°
• γ: 90°
• Cell volume: 8946.1 ± 0.9 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0943
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No