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Information card for entry 4067742
Preview
| Coordinates | 4067742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H77 Fe Lu N8 O2 Si2 |
|---|---|
| Calculated formula | C54 H77 Fe Lu N8 O2 Si2 |
| SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)N1[Si](C)(C)C(C)(C)C)[c]2([cH]5[cH]6[cH]7[cH]82)N([Si](C)(C)C(C)(C)C)[Lu]12([n]1c3ccccc3n(c1)C)[n]1c3ccccc3n(c1C1N2c2c(N1C)cccc2)C.O1CCCC1.O1CCCC1 |
| Title of publication | Reactions of Imidazoles with Electrophilic Metal Alkyl Complexes |
| Authors of publication | Miller, Kevin L.; Carver, Colin T.; Williams, Bryan N.; Diaconescu, Paula L. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 10 |
| Pages of publication | 2272 |
| a | 15.518 ± 0.003 Å |
| b | 24.031 ± 0.005 Å |
| c | 16.449 ± 0.003 Å |
| α | 90° |
| β | 117.953 ± 0.002° |
| γ | 90° |
| Cell volume | 5418.4 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0602 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Weighted residual factors for all reflections included in the refinement | 0.0886 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178568 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/77. |
4067742.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067742.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067742.cif |
| 34281 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067741, 4067742, 4067743, 4067744 via cif-deposit CGI script. |
4067742.cif |
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