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Information card for entry 7007584
Preview
| Coordinates | 7007584.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H40 Ag2 B2 F8 N12 |
|---|---|
| Calculated formula | C48 H40 Ag2 B2 F8 N12 |
| SMILES | [Ag]123[n]4c(cccc4)c4[n]1n(cc4)Cc1ccc(cc1)Cn1[n]4[Ag]5([n]6c(c4cc1)cccc6)[n]1c(ccn1Cc1ccc(Cn4[n]3c(c3[n]2cccc3)cc4)cc1)c1[n]5cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
| Title of publication | Complexes of Ag(I), Hg(I) and Hg(II) with multidentate pyrazolyl-pyridine ligands: From mononuclear complexes to coordination polymers via helicates, a mesocate, a cage and a catenate. |
| Authors of publication | Argent, Stephen P.; Adams, Harry; Riis-Johannessen, Thomas; Jeffery, John C.; Harding, Lindsay P.; Clegg, William; Harrington, Ross W.; Ward, Michael D. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 42 |
| Pages of publication | 4996 - 5013 |
| a | 11.5905 ± 0.0002 Å |
| b | 21.456 ± 0.0004 Å |
| c | 18.4922 ± 0.0005 Å |
| α | 90° |
| β | 95.651 ± 0.001° |
| γ | 90° |
| Cell volume | 4576.4 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0469 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.0946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179779 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/75. |
7007584.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007584.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007584.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007584.cif |
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