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Information card for entry 4343418
Preview
| Coordinates | 4343418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Fe(TMP)(CN)2][K(222)] |
|---|---|
| Formula | C39.5 H47 Cl3 Fe0.5 K0.5 N4 O3 |
| Calculated formula | C39.5 H47 Cl3 Fe0.5 K0.5 N4 O3 |
| Title of publication | Bis(cyano) Iron(III) Porphyrinates: What Is the Ground State? |
| Authors of publication | Li, Jianfeng; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 13 |
| Pages of publication | 6472 - 6485 |
| a | 11.4858 ± 0.0003 Å |
| b | 14.0967 ± 0.0004 Å |
| c | 26.9709 ± 0.0007 Å |
| α | 97.301 ± 0.001° |
| β | 90.785 ± 0.001° |
| γ | 113.894 ± 0.001° |
| Cell volume | 3950.04 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0536 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.1119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4343418.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4343418.cif |
| 141340 | 2015-07-08 | cif/ Updating files of 4343414, 4343415, 4343416, 4343417, 4343418, 4343419, 4343420 Original log message: Adding full bibliography for 4343414--4343420.cif. |
4343418.cif |
| 139516 | 2015-06-24 | cif/ Adding structures of 4343414, 4343415, 4343416, 4343417, 4343418, 4343419, 4343420 via cif-deposit CGI script. |
4343418.cif |
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Users of the data should acknowledge the original authors of the
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