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Information card for entry 4305563
Preview
| Coordinates | 4305563.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 Cd N5 O6 S2 |
|---|---|
| Calculated formula | C19 H21 Cd N5 O6 S2 |
| SMILES | [Cd]1234([S]5Cc6[n]2c2c(cc6)ccc6c2[n]3c(cc6)C[S]1CC[N]4(CC5)C)(ON(=O)=O)ON(=O)=O |
| Title of publication | Interaction of Mixed-Donor Macrocycles Containing the 1,10-Phenanthroline Subunit with Selected Transition and Post-Transition Metal Ions: Metal Ion Recognition in Competitive Liquid-Liquid Solvent Extraction of CuII, ZnII, PbII, CdII, AgI, and HgII |
| Authors of publication | M. Carla Aragoni; Massimiliano Arca; Andrea Bencini; Silvia Biagini; Alexander J. Blake; Claudia Caltagirone; Francesco Demartin; Greta De Filippo; Francesco A. Devillanova; Alessandra Garau; Karsten Gloe; Francesco Isaia; Vito Lippolis; Barbara Valtancoli; Marco Wenzel |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 8391 - 8404 |
| a | 41.363 ± 0.008 Å |
| b | 41.363 ± 0.008 Å |
| c | 8.056 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 11936 ± 4 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1021 |
| Residual factor for significantly intense reflections | 0.0869 |
| Weighted residual factors for significantly intense reflections | 0.2379 |
| Weighted residual factors for all reflections included in the refinement | 0.2493 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179093 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/55. |
4305563.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4305563.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4305563.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4305563.cif |
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