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Information card for entry 7006179
Preview
| Coordinates | 7006179.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H40 Cu Fe2 N2 O4 S2 |
|---|---|
| Calculated formula | C32 H40 Cu Fe2 N2 O4 S2 |
| SMILES | [Fe]12345678([cH]9[cH]5[cH]7[cH]4[cH]89)[cH]4[c]2([cH]6[cH]1[cH]34)C[NH]1[Cu]23(OC(=O)[C@@H]1CC[S]3C)OC(=O)[C@@H]([NH]2C[c]12[cH]3[Fe]4567891([cH]1[cH]4[cH]7[cH]8[cH]91)[cH]2[cH]5[cH]36)CCSC |
| 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 | 12.0995 ± 0.0002 Å |
| b | 9.8513 ± 0.0002 Å |
| c | 13.4689 ± 0.0002 Å |
| α | 90° |
| β | 98.281 ± 0.001° |
| γ | 90° |
| Cell volume | 1588.7 ± 0.05 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0555 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.0546 |
| Weighted residual factors for all reflections included in the refinement | 0.0587 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.909 |
| 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. |
7006179.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006179.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006179.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7006179.cif |
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