Information card for entry 7039206

Structure parameters

• Formula: C30 H31 Au2 F12 N9 P2
• Calculated formula: C30 H28 Au2 F12 N9 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Au]1=C2N(C)C=CN2c2ccccc2N2C(=[Au]=C3N(C)C=CN3c3ccccc3N3C=1N(C)C=C3)N(C)C=C2.C(#N)C.[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: 12.899 ± 0.003 Å
• b: 17.022 ± 0.005 Å
• c: 17.781 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3904.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No