Information card for entry 7037482

Structure parameters

• Formula: C102 H98 Au2 B2 N10
• Calculated formula: C102 H98 Au2 B2 N10
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(CCC)N1C2=[Au]=C3N(CCCC)c4ccccc4N3c3cccc(N4C(=[Au]=C5N(CCCC)c6ccccc6N5c5cccc(N2c2ccccc12)n5)N(CCCC)c1ccccc41)n3.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 13.4178 ± 0.0002 Å
• b: 17.8673 ± 0.0003 Å
• c: 17.5027 ± 0.0002 Å
• α: 90°
• β: 100.73 ± 0.001°
• γ: 90°
• Cell volume: 4122.73 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No