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Information card for entry 7006181
Preview
| Coordinates | 7006181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H34 Cu Fe2 N2 O7 |
|---|---|
| Calculated formula | C28 H34 Cu Fe2 N2 O7 |
| SMILES | [Cu]12(OC(=O)[C@@H]([NH]1C[c]13[cH]4[Fe]56789%101([cH]3[cH]5[cH]46)[cH]1[cH]8[cH]%10[cH]9[cH]71)CO)(OC(=O)[C@@H]([NH]2C[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]36)[cH]1[cH]5[cH]8[cH]7[cH]91)CO)[OH2] |
| Title of publication | Ferrocene substitution in amino acids strengthens the axial binding in Cu(II) complexes and separates the hydrophobic and hydrophilic region in the crystals. |
| Authors of publication | Sahoo, Subash Chandra; Ray, Manabendra |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 44 |
| Pages of publication | 5148 - 5155 |
| a | 7.8867 ± 0.0002 Å |
| b | 11.1661 ± 0.0003 Å |
| c | 32.3867 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2852.09 ± 0.13 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0615 |
| Weighted residual factors for all reflections included in the refinement | 0.0699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179765 (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 7/00/61. |
7006181.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006181.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006181.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7006181.cif |
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