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Information card for entry 4075219
Preview
| Coordinates | 4075219.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44.5 H60 B Cu N2 O2 |
|---|---|
| Calculated formula | C44.5 H60 B Cu N2 O2 |
| Title of publication | Copper(I) β-Boroalkyls from Alkene Insertion: Isolation and Rearrangement |
| Authors of publication | Laitar, David S.; Tsui, Emily Y.; Sadighi, Joseph P. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 10 |
| Pages of publication | 2405 |
| a | 12.5994 ± 0.0008 Å |
| b | 19.7548 ± 0.0015 Å |
| c | 17.9349 ± 0.0014 Å |
| α | 90° |
| β | 110.025 ± 0.002° |
| γ | 90° |
| Cell volume | 4194.1 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0789 |
| Residual factor for significantly intense reflections | 0.0671 |
| Weighted residual factors for significantly intense reflections | 0.1577 |
| Weighted residual factors for all reflections included in the refinement | 0.1671 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4075219.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4075219.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4075219.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075219.cif |
| 49121 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075218, 4075219 via cif-deposit CGI script. |
4075219.cif |
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