Information card for entry 7037480

Structure parameters

• Formula: C91 H114 Au4 Br Cl F12 N26 P2
• Calculated formula: C91 H114 Au4 Br Cl F12 N26 P2
• 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: 16.7514 ± 0.0002 Å
• b: 15.6398 ± 0.0002 Å
• c: 39.1287 ± 0.001 Å
• α: 90°
• β: 91.285 ± 0.002°
• γ: 90°
• Cell volume: 10248.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No