Information card for entry 7037479

Structure parameters

• Formula: C60 H75 Au2 F12 N17 P2
• Calculated formula: C60 H75 Au2 F12 N17 P2
• SMILES: [Au]1=C2N(c3c(N2c2nc(nc(n2)N(CC)CC)N2C(=[Au]=C4N(c5c(N4c4nc(nc(n4)N(CC)CC)N4C=1N(c1c4cccc1)CCCC)cccc5)CCCC)N(c1c2cccc1)CCCC)cccc3)CCCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CC#N
• Title of publication: Silver(i), gold(i) and palladium(ii) complexes of a NHC-pincer ligand with an aminotriazine core: a comparison with pyridyl analogues.
• Authors of publication: Vaughan, Jamila; Carter, Damien J.; Rohl, Andrew L.; Ogden, Mark I.; Skelton, Brian W.; Simpson, Peter V.; Brown, David H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1484 - 1495
• a: 11.826 ± 0.002 Å
• b: 16.6381 ± 0.0018 Å
• c: 19.0617 ± 0.0019 Å
• α: 71.356 ± 0.009°
• β: 75.241 ± 0.011°
• γ: 70.279 ± 0.012°
• Cell volume: 3299.7 ± 0.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0725
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No