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Information card for entry 7037479
Preview
Coordinates | 7037479.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H75 Au2 F12 N17 P2 |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/7037479.html
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Users of the data should acknowledge the original authors of the
structural data.