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Information card for entry 2004289
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Coordinates | 2004289.cif |
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Original IUCr paper | HTML |
Common name | (Theophyllinato-N^7^)(dimethylphenylphosphine)gold(I) |
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Chemical name | (3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dionato-N^7^)- (dimethylphenylphosphine)gold(I) |
Formula | C15 H18 Au N4 O2 P |
Calculated formula | C15 H18 Au N4 O2 P |
SMILES | [Au]([P](c1ccccc1)(C)C)n1c2c(N(C(=O)N(C)C2=O)C)nc1 |
Title of publication | (1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1<i>H</i>-purin-7-yl)(dimethylphenylphosphine)gold(I) |
Authors of publication | Pajunen, A.; Kivekäs, R.; Colacio, E.; Cuesta, R. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1995 |
Journal volume | 51 |
Journal issue | 12 |
Pages of publication | 2551 - 2554 |
a | 15.401 ± 0.007 Å |
b | 18.228 ± 0.011 Å |
c | 5.857 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1644.2 ± 1.5 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0375 |
Residual factor for significantly intense reflections | 0.0351 |
Weighted residual factors for all reflections | 0.0849 |
Weighted residual factors for significantly intense reflections | 0.0833 |
Goodness-of-fit parameter for all reflections | 1.12 |
Goodness-of-fit parameter for significantly intense reflections | 1.131 |
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/2004289.html
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