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Information card for entry 4077067
Preview
| Coordinates | 4077067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H38 B N2 Rh |
|---|---|
| Calculated formula | C21 H38 B N2 Rh |
| SMILES | [Rh]1234567([N]8([B]1([CH]2=[CH]3[CH]4=8)N(C(C)C)C(C)C)C(C)(C)C)[CH]1=[CH]5CC[CH]6=[CH]7CC1 |
| Title of publication | The First General Method for the Synthesis of Transition-Metal π Complexes of an Electronically Diverse Family of 1,2-Azaborolyls |
| Authors of publication | Liu, Shih-Yuan; Hills, Ivory D.; Fu, Gregory C. |
| Journal of publication | Organometallics |
| Year of publication | 2002 |
| Journal volume | 21 |
| Journal issue | 21 |
| Pages of publication | 4323 |
| a | 10.4114 ± 0.0006 Å |
| b | 13.3264 ± 0.0008 Å |
| c | 15.7688 ± 0.0009 Å |
| α | 90° |
| β | 105.836 ± 0.001° |
| γ | 90° |
| Cell volume | 2104.8 ± 0.2 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0235 |
| Residual factor for significantly intense reflections | 0.0203 |
| Weighted residual factors for significantly intense reflections | 0.0495 |
| Weighted residual factors for all reflections included in the refinement | 0.0507 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4077067.cif |
| 178659 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/70. |
4077067.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077067.cif |
| 54159 | 2012-04-21 | cif/ Adding structures of 4077067 via cif-deposit CGI script. |
4077067.cif |
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Users of the data should acknowledge the original authors of the
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