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Information card for entry 7103722
Preview
| Coordinates | 7103722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H7 Cu N O4.5 S0.5 |
|---|---|
| Calculated formula | C9 H5.5 Cu N O4.5 S0.5 |
| Authors of publication | Daofeng Sun; Rong Cao; Wenhua Bi; Daqiang Yuan; Qian Shi; Xing Li |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2003 |
| a | 10.9368 ± 0.001 Å |
| b | 16.2104 ± 0.0016 Å |
| c | 10.7803 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1911.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 58 |
| Hermann-Mauguin space group symbol | P n n m |
| Hall space group symbol | -P 2 2n |
| Residual factor for significantly intense reflections | 0.0574 |
| Weighted residual factors for significantly intense reflections | 0.1032 |
| Weighted residual factors for all reflections included in the refinement | 0.13 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7103722.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7103722.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7103722.cif |
| 31986 | 2012-01-04 | cif/ Changing more tags to match the dictionary specifications: -_diffrn_standards_interval_count none -_diffrn_standards_interval_time none -_diffrn_standards_number none +_diffrn_standards_interval_count 0 +_diffrn_standards_interval_time . +_diffrn_standards_number 0 |
7103722.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7103722.cif |
| 1133 | 2010-04-30 | cif/ Merging back changes between revision 1110 and 1109, essentially restoring the _refine_ls_R_factor_ref tag. The reason was double: on one hand, in one entry (4022027.cif) received duplicate tag _refine_ls_R_factor_ref; on the other hand, the _refine_ls_R_factor_ref tag is present in many new entries, there is a similar wR tag, and in the 4022027.cif case the value was *NOT* the same as in the _refine_ls_R_factor_all tag, indicating that _refine_ls_R_factor_ref might have special semantics. |
7103722.cif |
| 1110 | 2010-04-19 | Fixed 'refine_ls_R_factor_ref' to 'refine_ls_R_factor_all' from unrecognised-tag.lst |
7103722.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7103722.cif |
| 919 | 2009-12-07 | cif/7/ Fixing values that started with a square bracket ("[") in 36 series 7 files (enclosing such values in single quotes). |
7103722.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
7103722.cif |
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