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Information card for entry 7019065
Preview
| Coordinates | 7019065.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (PSH)(FeCl3N2O1) |
|---|---|
| Formula | C21 H34 Cl3 Fe N4 O2 |
| Calculated formula | C21 H34 Cl3 Fe N4 O2.2 |
| Title of publication | Studies of iron(II) and iron(III) complexes with fac-N2O, cis-N2O2 and N2O3 donor ligands: models for the 2-His 1-carboxylate motif of non-heme iron monooxygenases. |
| Authors of publication | Cappillino, Patrick J.; Miecznikowski, John R.; Tyler, Laurie A.; Tarves, Paul C.; McNally, Joshua S.; Lo, Wayne; Kasibhatla, Bala Sundari T.; Krzyaniak, Matthew D.; McCracken, John; Wang, Feng; Armstrong, William H.; Caradonna, John P. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 18 |
| Pages of publication | 5662 - 5677 |
| a | 15.6852 ± 0.0015 Å |
| b | 10.9015 ± 0.0011 Å |
| c | 15.471 ± 0.0014 Å |
| α | 90° |
| β | 104.284 ± 0.002° |
| γ | 90° |
| Cell volume | 2563.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1224 |
| Residual factor for significantly intense reflections | 0.1019 |
| Weighted residual factors for significantly intense reflections | 0.2512 |
| Weighted residual factors for all reflections included in the refinement | 0.2692 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179894 (current) | 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 7/01/90. |
7019065.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019065.cif |
| 60429 | 2012-06-14 | cif/ Adding structures of 7019061, 7019062, 7019063, 7019064, 7019065 via cif-deposit CGI script. |
7019065.cif |
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Users of the data should acknowledge the original authors of the
structural data.