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Information card for entry 4336873
Preview
| Coordinates | 4336873.cif |
|---|---|
| Structure factors | 4336873.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H52 Fe N2 Si2 |
|---|---|
| Calculated formula | C30 H52 Fe N2 Si2 |
| SMILES | c1(c(cccc1C(C)C)C(C)C)N([Fe]N(c1c(cccc1C(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Dispersion Force Stabilized Two-Coordinate Transition Metal-Amido Complexes of the -N(SiMe3)Dipp (Dipp = C6H3-2,6-Pri2) Ligand: Structural, Spectroscopic, Magnetic, and Computational Studies |
| Authors of publication | Chun-Yi Lin; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Fernande Grandjean; Gary J. Long; Nicholas F. Chilton; Philip P. Power |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 13584 - 13593 |
| a | 8.8101 ± 0.0005 Å |
| b | 9.1759 ± 0.0005 Å |
| c | 11.1624 ± 0.0006 Å |
| α | 102.467 ± 0.001° |
| β | 92.503 ± 0.001° |
| γ | 113.932 ± 0.001° |
| Cell volume | 796.59 ± 0.08 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.0378 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.1073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4336873.cif 4336873.hkl |
| 181932 | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/33. |
4336873.cif 4336873.hkl |
| 180700 | 2016-04-02 | cod/ (antanas@echidna.ibt.lt) Setting the 'svn:keywords' property for all '*.hkl' files that were previously unaffected by this property. |
4336873.cif 4336873.hkl |
| 179471 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/68. |
4336873.cif 4336873.hkl |
| 103164 | 2014-02-25 | hkl/4 Adding Fobs files for entries coming from J. Org. Chem. and Inorg. Chem. 2013 |
4336873.cif 4336873.hkl |
| 102925 | 2014-02-24 | cif/ Adding structures of 4336873 via cif-deposit CGI script. |
4336873.cif |
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Users of the data should acknowledge the original authors of the
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