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Information card for entry 7110411
Preview
| Coordinates | 7110411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H21 B F4 N2 |
|---|---|
| Calculated formula | C10 H21 B F4 N2 |
| Title of publication | Complexation of stable carbenes with alkali metals |
| Authors of publication | Alder, Roger W.; Blake, Michael E.; Bortolotti, Christel; Bufali, Simone; Butts, Craig P.; Linehan, Emma; Oliva, Josep M.; Guy Orpen, A.; Quayle, Michael J. |
| Journal of publication | Chemical Communications |
| Year of publication | 1999 |
| Journal issue | 3 |
| Pages of publication | 241 |
| a | 8.434 ± 0.01 Å |
| b | 10.467 ± 0.003 Å |
| c | 15.389 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1358.5 ± 1.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0664 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for all reflections | 0.0958 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Goodness-of-fit parameter for all reflections | 0.977 |
| Goodness-of-fit parameter for significantly intense reflections | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | mokα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278158 (current) | 2022-09-25 | cod/ Reformatted the summary chemical formuale using the 'cif_filter' program. |
7110411.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7110411.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
7110411.cif |
| 134500 | 2015-03-28 | cif/ (antanas@echidna.ibt.lt) Changed '_atom_site_type_symbol' values into the ones starting with a capital letter ('cl' -> 'Cl') and regeneradted the chemical formula sum for CIFs 4337852, 7011085, 7110411. |
7110411.cif |
| 134499 | 2015-03-28 | cif/ (antanas@echidna.ibt.lt) Fixing misspelled '_atom_site_refinement_flags' tag values (case-sensitive).The issued command: codid2file | while read file; do cif_fix_values --fix-only-enums --treat-as-set "$file" | cif_filter -h $file | sponge $file; done In some cases, tag values did not change, but the tags were reorganized by the 'cif_filter' script. 21 files were affected in total. |
7110411.cif |
| 95117 | 2014-01-28 | cif/ Adding structures of 7110410, 7110411 via cif-deposit CGI script. |
7110411.cif |
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Users of the data should acknowledge the original authors of the
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