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Information card for entry 2226709
Preview
| Coordinates | 2226709.cif |
|---|---|
| Structure factors | 2226709.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chlorido(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III) dichloromethane sesquisolvate |
|---|---|
| Formula | C37.5 H47 Cl4 Fe N4 |
| Calculated formula | C37.5 H47 Cl4 Fe N4 |
| Title of publication | Chlorido(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III) dichloromethane sesquisolvate |
| Authors of publication | Safo, Martin K.; Buentello, Kristin E.; Oliver, Allen G.; Scheidt, W. Robert |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 7 |
| Pages of publication | m733 |
| a | 10.062 ± 0.006 Å |
| b | 13.767 ± 0.005 Å |
| c | 14.754 ± 0.005 Å |
| α | 66.46 ± 0.02° |
| β | 80.55 ± 0.02° |
| γ | 76.1 ± 0.02° |
| Cell volume | 1813.5 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0839 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1344 |
| Weighted residual factors for all reflections included in the refinement | 0.1476 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181188 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/67. |
2226709.cif 2226709.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2226709.cif 2226709.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226709.cif 2226709.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. | 2226709.cif 2226709.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226709.cif 2226709.hkl |
| 1452 | 2010-10-08 | hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt. |
2226709.cif 2226709.hkl |
| 1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2226709.cif |
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Users of the data should acknowledge the original authors of the
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