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Information card for entry 7045407
Preview
| Coordinates | 7045407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C68 H86 Fe2 N10 |
|---|---|
| Calculated formula | C68 H86 Fe2 N10 |
| SMILES | n12[n](c(cc1)C(C)(C)C)[Fe]134[c]5(cc(nn5c5cc(cc6c5n3c3c6cc(cc23)C(C)(C)C)C(C)(C)C)C(C)(C)C)[Fe]234[c]41cc(nn4c1cc(cc4c1n2c1c4cc(cc1n1[n]3c(cc1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C |
| Title of publication | Synthesis and characterization of an iron complex bearing a hemilabile NNN-pincer for catalytic hydrosilylation of organic carbonyl compounds. |
| Authors of publication | Lin, Hsiu-Jung; Lutz, Sean; O'Kane, Catherine; Zeller, Matthias; Chen, Chun-Hsing; Al Assil, Talal; Lee, Wei-Tsung |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 10 |
| Pages of publication | 3243 - 3247 |
| a | 10.6257 ± 0.0007 Å |
| b | 11.7461 ± 0.0007 Å |
| c | 13.373 ± 0.0009 Å |
| α | 108.574 ± 0.003° |
| β | 101.586 ± 0.004° |
| γ | 98.224 ± 0.004° |
| Cell volume | 1510.91 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0678 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1283 |
| Weighted residual factors for all reflections included in the refinement | 0.1383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7045407.cif |
| 229233 | 2019-11-17 | cif/ Updating files of 7045406, 7045407, 7045408 Original log message: Adding full bibliography for 7045406--7045408.cif. |
7045407.cif |
| 205686 | 2018-01-26 | cif/ Adding structures of 7045406, 7045407, 7045408 via cif-deposit CGI script. |
7045407.cif |
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