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Information card for entry 2235503
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| Coordinates | 2235503.cif |
|---|---|
| Structure factors | 2235503.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,9-Dimethyl-1,10-phenanthrolin-1-ium tetrachloridoferrate(III) methanol monosolvate |
|---|---|
| Formula | C15 H17 Cl4 Fe N2 O |
| Calculated formula | C15 H17 Cl4 Fe N2 O |
| Title of publication | 2,9-Dimethyl-1,10-phenanthrolin-1-ium tetrachloridoferrate(III) methanol monosolvate |
| Authors of publication | Bahojb Noruzi, Ehsan; Safari, Nasser; Amani, Vahid; Notash, Behrouz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | m905 |
| a | 13.067 ± 0.003 Å |
| b | 20.377 ± 0.004 Å |
| c | 7.281 ± 0.0015 Å |
| α | 90° |
| β | 109.03 ± 0.03° |
| γ | 90° |
| Cell volume | 1832.7 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0586 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections included in the refinement | 0.0986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181277 (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 2/23/55. |
2235503.cif 2235503.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. |
2235503.cif 2235503.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235503.cif 2235503.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. | 2235503.cif 2235503.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235503.cif 2235503.hkl |
| 63972 | 2012-08-10 | cif/ Adding structures of 2235503 via cif-deposit CGI script. |
2235503.cif |
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Users of the data should acknowledge the original authors of the
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