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Information card for entry 4064511
Preview
| Coordinates | 4064511.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H91 N4 P2 Sc |
|---|---|
| Calculated formula | C61 H91 N4 P2 Sc |
| Title of publication | Atom-Economical Route to Substituted Pyridines via a Scandium Imide |
| Authors of publication | Wicker, Benjamin F.; Scott, Jennifer; Fout, Alison R.; Pink, Maren; Mindiola, Daniel J. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 9 |
| Pages of publication | 2453 |
| a | 12.5519 ± 0.0013 Å |
| b | 13.9454 ± 0.0014 Å |
| c | 18.719 ± 0.002 Å |
| α | 74.525 ± 0.002° |
| β | 74.729 ± 0.002° |
| γ | 68.528 ± 0.002° |
| Cell volume | 2888 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.107 |
| Residual factor for significantly intense reflections | 0.0612 |
| Weighted residual factors for significantly intense reflections | 0.147 |
| Weighted residual factors for all reflections included in the refinement | 0.1696 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
4064511.cif |
| 178539 | 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 4/06/45. |
4064511.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064511.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064511.cif |
| 32933 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064510, 4064511, 4064512, 4064513 via cif-deposit CGI script. |
4064511.cif |
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Users of the data should acknowledge the original authors of the
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