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Information card for entry 7010418
Preview
Coordinates | 7010418.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H26 Ag F6 N2 O4 P |
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Calculated formula | C12 H26 Ag F6 N2 O4 P |
SMILES | C1COCCOCC[NH]2[Ag][NH]1CCOCCOCC2.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Macrocyclic ligand design. X-Ray, DFT and solution studies of the effect of N-methylation and N-benzylation of 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane on its affinity for selected transition and post-transition metal ions |
Authors of publication | Hambley, Trevor W.; Lindoy, Leonard F.; Reimers, Jeffrey R.; Turner, Peter; Wei, Gang; Widmer-Cooper, Asaph N. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 5 |
Pages of publication | 614 |
a | 15.3255 ± 0.0005 Å |
b | 8.5474 ± 0.0003 Å |
c | 14.5016 ± 0.0005 Å |
α | 90° |
β | 97.427 ± 0.001° |
γ | 90° |
Cell volume | 1883.67 ± 0.11 Å3 |
Cell temperature | 273.2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0363 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for all reflections | 0.0376 |
Weighted residual factors for all reflections included in the refinement | 0.0375 |
Goodness-of-fit parameter for all reflections | 3.815 |
Goodness-of-fit parameter for all reflections included in the refinement | 3.976 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7010418.html
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