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Information card for entry 7032566
Preview
| Coordinates | 7032566.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis(tris((1-Methylimidazol-2-yl)methyl)amine-N,N',N'',N''')-cadmium(ii)diperchlorate |
|---|---|
| Formula | C30 H42 Cd Cl2 N14 O8 |
| Calculated formula | C30 H42 Cd Cl2 N14 O8 |
| SMILES | C1c2[n](ccn2C)[Cd]234([n]5c(CN1Cc1[n]2ccn1C)n(cc5)C)[n]1c(CN(Cc2[n]3ccn2C)Cc2[n]4ccn2C)n(cc1)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | Bis-tetradentate complexes of Cd(ii) and Hg(ii) with N8 coordination: structural and NMR comparisons. |
| Authors of publication | Bowers, Edith V.; Murphy, Geoffrey S.; Till, Stephanie N.; VandenBussche, Christopher J.; Yaroschak, Melissa M.; Pike, Robert D.; Butcher, Raymond J.; Bebout, Deborah C. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 43 |
| Pages of publication | 16475 - 16485 |
| a | 12.1411 ± 0.0002 Å |
| b | 13.5194 ± 0.0002 Å |
| c | 12.3562 ± 0.0002 Å |
| α | 90° |
| β | 109.204 ± 0.0006° |
| γ | 90° |
| Cell volume | 1915.29 ± 0.05 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0222 |
| Residual factor for significantly intense reflections | 0.0218 |
| Weighted residual factors for significantly intense reflections | 0.0569 |
| Weighted residual factors for all reflections included in the refinement | 0.0573 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180031 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/25. |
7032566.cif |
| 126468 | 2014-11-06 | cif/ Updating files of 7032566, 7032567, 7032568, 7032569, 7032570 Original log message: Adding full bibliography for 7032566--7032570.cif. |
7032566.cif |
| 123836 | 2014-09-16 | cif/ Adding structures of 7032566, 7032567, 7032568, 7032569, 7032570 via cif-deposit CGI script. |
7032566.cif |
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