Information card for entry 7039207

Structure parameters

• Formula: C28 H28 Au2 F12 N8 P2
• Calculated formula: C28 H28 Au2 F12 N8 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].C12=[Au]=C3N(c4cccc(N5C(=[Au]=C6N(c7cccc(N2C=CN1C)c7)C=CN6C)N(C)C=C5)c4)C=CN3C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Metal complexes with di(N-heterocyclic carbene) ligands bearing a rigid ortho-, meta or para-phenylene bridge.
• Authors of publication: Monticelli, Marco; Tubaro, Cristina; Baron, Marco; Basato, Marino; Sgarbossa, Paolo; Graiff, Claudia; Accorsi, Gianluca; Pell, Thomas P.; Wilson, David J. D.; Barnard, Peter J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9540 - 9552
• a: 8.437 ± 0.0012 Å
• b: 9.906 ± 0.0013 Å
• c: 11.951 ± 0.0015 Å
• α: 86.876 ± 0.002°
• β: 84.808 ± 0.002°
• γ: 66.637 ± 0.002°
• Cell volume: 913 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No