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Information card for entry 7006180
Preview
| Coordinates | 7006180.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H30 Cu Fe2 N4 O10 |
|---|---|
| Calculated formula | C30 H30 Cu Fe2 N4 O10 |
| SMILES | [Cu]123(OC(=O)[C@@H]([NH]1C[c]14[cH]5[Fe]6789%10%111([cH]4[cH]6[cH]57)[cH]1[cH]8[cH]9[cH]%10[cH]%111)CC(=[O]3)N)OC(=O)[C@@H]([NH]2C[c]12[Fe]3456789([cH]([cH]4[cH]13)[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)CC(=O)N.O.O.O.O |
| 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 | 11.7307 ± 0.0003 Å |
| b | 9.5491 ± 0.0002 Å |
| c | 17.4332 ± 0.0004 Å |
| α | 90° |
| β | 106.12 ± 0.002° |
| γ | 90° |
| Cell volume | 1876.05 ± 0.08 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0841 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1375 |
| Weighted residual factors for all reflections included in the refinement | 0.1563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| 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. |
7006180.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006180.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006180.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7006180.cif |
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