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Information card for entry 4303357
Preview
| Coordinates | 4303357.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H35 Fe N4 O4 P2 S |
|---|---|
| Calculated formula | C42 H35 Fe N4 O4 P2 S |
| Title of publication | Relative Binding Affinity of Thiolate, Imidazolate, Phenoxide, and Nitrite Toward the {Fe(NO)2} Motif of Dinitrosyl Iron Complexes (DNICs): The Characteristic Pre-Edge Energy of {Fe(NO)2}9DNICs |
| Authors of publication | Tsai, Ming-Che; Tsai, Fu-Te; Lu, Tsai-Te; Tsai, Ming-Li; Wei, Yin-Ching; Hsu, I-Jui; Lee, Jyh-Fu; Liaw, Wen-Feng |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Journal issue | 19 |
| Pages of publication | 9579 - 9591 |
| a | 9.3611 ± 0.0017 Å |
| b | 25.315 ± 0.005 Å |
| c | 17.225 ± 0.003 Å |
| α | 90° |
| β | 103.743 ± 0.011° |
| γ | 90° |
| Cell volume | 3965.1 ± 1.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1231 |
| Residual factor for significantly intense reflections | 0.0629 |
| Weighted residual factors for significantly intense reflections | 0.1337 |
| Weighted residual factors for all reflections included in the refinement | 0.1612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210352 (current) | 2018-09-02 | cif/4/ Updating bibliography in entries 4303352-4303357, 4333514. Marking entry 4333514 as a duplicate of entry 4303353. |
4303357.cif |
| 179071 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/33. |
4303357.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4303357.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4303357.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4303357.cif |
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