Information card for entry 7018244

Structure parameters

• Formula: C38 H38 F12 N6 P2 Zn
• Calculated formula: C38 H38 F12 N6 P2 Zn
• Title of publication: 2,2':6',2''-Terpyridine substituted in the 4'-position by the solubilizing and sterically demanding tert-butyl group: a surprisingly new ligand.
• Authors of publication: Constable, Edwin C.; Hostettler, Nik; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 2890 - 2897
• a: 18.2002 ± 0.0011 Å
• b: 12.1791 ± 0.0006 Å
• c: 18.2223 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4039.2 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No