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Information card for entry 4314065
Preview
| Coordinates | 4314065.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H80 Ag2 F6 N8 O4 |
|---|---|
| Calculated formula | C84 H80 Ag2 F6 N8 O4 |
| SMILES | c1c(c2cc(C)cc(C)c2)nc(c[n]1[Ag]1([n]2cc(nc(c2)c2cc(C)cc(c2)C)c2cc(C)cc(C)c2)OC(=[O][Ag]([n]2cc(c3cc(C)cc(C)c3)nc(c2)c2cc(C)cc(C)c2)([n]2cc(nc(c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)OC(=[O]1)C(F)(F)F)C(F)(F)F)c1cc(C)cc(c1)C |
| Title of publication | Silver(I) Coordination Chemistry of 2,6-Diarylpyrazines. π-Stacking, Anion Coordination, and Steric Control |
| Authors of publication | Nate Schultheiss; Douglas R. Powell; Eric Bosch |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 5304 - 5310 |
| a | 9.4603 ± 0.0006 Å |
| b | 13.3544 ± 0.0008 Å |
| c | 14.7099 ± 0.0009 Å |
| α | 82.78 ± 0.002° |
| β | 84.554 ± 0.002° |
| γ | 75.649 ± 0.002° |
| Cell volume | 1782.2 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0281 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0748 |
| Weighted residual factors for all reflections included in the refinement | 0.0757 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179209 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/40. |
4314065.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4314065.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314065.cif |
| 7137 | 2011-01-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4314065 via cif-deposit CGI script. |
4314065.cif |
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