Information card for entry 7037477

Structure parameters

• Formula: C60 H75 Ag2 F12 N17 P2
• Calculated formula: C60 H75 Ag2 F12 N17 P2
• SMILES: [Ag](=C1N(c2c(N1c1nc(N3C(=[Ag]4)N(c5c3cccc5)CCCC)nc(N(CC)CC)n1)cccc2)CCCC)=C1N(c2c(N1c1nc(nc(n1)N(CC)CC)N1C=4N(c3c1cccc3)CCCC)cccc2)CCCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 11.8333 ± 0.0004 Å
• b: 16.5871 ± 0.0005 Å
• c: 18.7892 ± 0.0006 Å
• α: 70.639 ± 0.003°
• β: 75.383 ± 0.003°
• γ: 69.878 ± 0.003°
• Cell volume: 3227 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1031
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No