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Information card for entry 7014046
Preview
| Coordinates | 7014046.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H37 Fe N5 |
|---|---|
| Calculated formula | C22 H37 Fe N5 |
| SMILES | C1(CNCCNCCCNCCNC1)(C)NC[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82 |
| Title of publication | Electrochemical anion recognition with ferrocene functionalised macrocycles. |
| Authors of publication | Bernhardt, Paul V.; Creevey, Nicole L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2004 |
| Journal issue | 6 |
| Pages of publication | 914 - 920 |
| a | 15.856 ± 0.001 Å |
| b | 9.1701 ± 0.0007 Å |
| c | 31.549 ± 0.003 Å |
| α | 90° |
| β | 98.763 ± 0.007° |
| γ | 90° |
| Cell volume | 4533.7 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1013 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1168 |
| Weighted residual factors for all reflections included in the refinement | 0.1406 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7014046.cif |
| 179844 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/40. |
7014046.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7014046.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014046.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7014046.cif |
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