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Information card for entry 7010285
Preview
| Coordinates | 7010285.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H42 Cu I P2 |
|---|---|
| Calculated formula | C42 H42 Cu I P2 |
| SMILES | I[Cu]([P](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)[P](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1 |
| Title of publication | Structural and spectroscopic studies on three- and two-co-ordinate copper(I) halide tribenzylphosphine complexes |
| Authors of publication | Ainscough, Eric W.; Brodie, Andrew M.; Burrell, Anthony K.; Freeman, Graham H.; Jameson, Geoffrey B.; Bowmaker, Graham A.; Hanna, John V.; Healy, Peter C. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 2 |
| Pages of publication | 144 |
| a | 10.001 ± 0.002 Å |
| b | 14.529 ± 0.003 Å |
| c | 26.33 ± 0.005 Å |
| α | 90° |
| β | 94.68 ± 0.03° |
| γ | 90° |
| Cell volume | 3813.1 ± 1.3 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.086 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.1202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179806 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/02. |
7010285.cif |
| 134573 | 2015-04-01 | cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values. |
7010285.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010285.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010285.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010285.cif |
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Users of the data should acknowledge the original authors of the
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