Information card for entry 7040058

Structure parameters

• Formula: C70 H76 Au2 F12 N6 P4
• Calculated formula: C70 H76 Au2 F12.006 N6 P4.001
• Title of publication: Mono- and dimeric complexes of an asymmetric heterotopic P,CNHC,pyr ligand.
• Authors of publication: Bouché, Mathilde; Mordan, Michael; Kariuki, Benson M.; Coles, Simon J.; Christensen, Jeppe; Newman, Paul D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13347 - 13360
• a: 14.4471 ± 0.0002 Å
• b: 14.4471 ± 0.0002 Å
• c: 69.8751 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14584.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No