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Information card for entry 7007348
Preview
Coordinates | 7007348.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H15 Ag Cl N3 O4 |
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Calculated formula | C22 H15 Ag Cl N3 O4 |
SMILES | [Ag]1([n]2c3c(ccc2)cccc3C#Cc2cccc3ccc[n]1c23)[N]#CC.Cl(=O)(=O)(=O)[O-] |
Title of publication | Alkyne-containing chelating ligands: synthesis, properties and metal coordination of 1,2-di(quinolin-8-yl)ethyne. |
Authors of publication | Greco, Nicholas J.; Hysell, Michelle; Goldenberg, Joseph R.; Rheingold, Arnold L.; Tor, Yitzhak |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 19 |
Pages of publication | 2288 - 2290 |
a | 6.8416 ± 0.0017 Å |
b | 23.779 ± 0.006 Å |
c | 12.724 ± 0.004 Å |
α | 90° |
β | 105.29 ± 0.004° |
γ | 90° |
Cell volume | 1996.8 ± 0.9 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0725 |
Residual factor for significantly intense reflections | 0.0606 |
Weighted residual factors for significantly intense reflections | 0.1441 |
Weighted residual factors for all reflections included in the refinement | 0.1492 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.186 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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