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Information card for entry 2233234
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| Coordinates | 2233234.cif |
|---|---|
| Structure factors | 2233234.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>'-(4-Hydroxybenzylidene)ferrocene-1-carbohydrazide |
|---|---|
| Formula | C18 H16 Fe N2 O2 |
| Calculated formula | C18 H16 Fe N2 O2 |
| SMILES | c1(ccc(cc1)/C=N/NC(=O)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)O |
| Title of publication | <i>N</i>'-(4-Hydroxybenzylidene)ferrocene-1-carbohydrazide |
| Authors of publication | Li, Wen-juan; Song, Manman; Xu, Yan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m8 |
| a | 11.341 ± 0.002 Å |
| b | 11.669 ± 0.002 Å |
| c | 11.748 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1554.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0567 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181254 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/32. |
2233234.cif 2233234.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233234.cif 2233234.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233234.cif 2233234.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233234.cif 2233234.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233234.cif 2233234.hkl |
| 32295 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233234 via cif-deposit CGI script. |
2233234.cif |
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Users of the data should acknowledge the original authors of the
structural data.