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Information card for entry 4308182
Preview
| Coordinates | 4308182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H42 Cl4 Cu N8 O19 |
|---|---|
| Calculated formula | C22 H42 Cl4 Cu N8 O19 |
| SMILES | [Cu]1234[NH2]CC[N]2(CC[NH2]1)Cc1[n]3c2c(cc1)ccc1ccc([n]4c21)CN(CC[NH3+])CC[NH3+].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O |
| Title of publication | A New Branched Phenanthroline Derivative Ligand: Synthesis, Solution Chemistry, and Crystal Structures of Copper(II) and Zinc(II) Complexes |
| Authors of publication | Gianluca Ambrosi; Mauro Formica; Vieri Fusi; Luca Giorgi; Annalisa Guerri; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 4737 - 4748 |
| a | 9.4067 ± 0.0007 Å |
| b | 9.694 ± 0.0006 Å |
| c | 20.412 ± 0.001 Å |
| α | 77.837 ± 0.005° |
| β | 80.571 ± 0.006° |
| γ | 85.084 ± 0.005° |
| Cell volume | 1792.4 ± 0.2 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.073 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.0966 |
| Weighted residual factors for all reflections included in the refinement | 0.1062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.904 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4308182.cif |
| 179119 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/81. |
4308182.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308182.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308182.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4308182.cif |
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