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Information card for entry 7037482
Preview
Coordinates | 7037482.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C102 H98 Au2 B2 N10 |
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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 Å3 |
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 |
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Users of the data should acknowledge the original authors of the
structural data.