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Information card for entry 7205967
Preview
Coordinates | 7205967.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H48 Ag2 B2 F8 I4 N12 O14 |
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Calculated formula | C54 H48 Ag2 B2 F8 I4 N12 O14 |
SMILES | [B](F)(F)(F)[F-].[Ag]123([n]4c(NC(=[O]1)c1ccc(cc1)C(=O)OC)ncc(c4)[I][Ag]14([n]5cc(cnc5NC(=[O]1)c1ccc(cc1)C(=O)OC)[I]3)[n]1cc(I)cnc1NC(=[O]4)c1ccc(cc1)C(=O)OC)[n]1cc(I)cnc1NC(=[O]2)c1ccc(cc1)C(=O)OC.OC.[B](F)(F)(F)[F-].OC |
Title of publication | Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion |
Authors of publication | Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 12 |
Pages of publication | 4121 |
a | 9.8556 ± 0.0012 Å |
b | 10.8736 ± 0.0014 Å |
c | 15.375 ± 0.002 Å |
α | 92.219 ± 0.009° |
β | 95.523 ± 0.009° |
γ | 94.117 ± 0.01° |
Cell volume | 1634.1 ± 0.4 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0853 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.09 |
Weighted residual factors for all reflections included in the refinement | 0.1044 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/7205967.html
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