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Information card for entry 7113555
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| Coordinates | 7113555.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (Tris(N,N'-(2,2')bipyridinyl-5,5'-diyl-bis-carbamic acid diethyl ester)iron(ii))-diperchlorate - di- ethanol' |
|---|---|
| Chemical name | [Tris(N,N'-[2,2']bipyridinyl-5,5'-diyl-bis-carbamic acid diethyl ester)iron(II)]- diperchlorate - di- ethanol' |
| Formula | C26 H33 Fe0.5 N7 O10 |
| Calculated formula | C26 H27 Fe0.5 N7 O10 |
| Title of publication | Large size anion binding with iron(II) complexes of a 5,5'-disubstituted-2,2'-bipyridine ligand |
| Authors of publication | Wu, Biao; Yang, Xiao-Juan; Janiak, Christoph; Gerhard Lassahn, Paul |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 7 |
| Pages of publication | 902 - 903 |
| a | 18.49 ± 0.06 Å |
| b | 24.91 ± 0.08 Å |
| c | 15.14 ± 0.05 Å |
| α | 90° |
| β | 117.69 ± 0.05° |
| γ | 90° |
| Cell volume | 6175 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2545 |
| Residual factor for significantly intense reflections | 0.0748 |
| Weighted residual factors for significantly intense reflections | 0.1784 |
| Weighted residual factors for all reflections included in the refinement | 0.2697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.855 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7104037 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209748 (current) | 2018-08-16 | cif/7/ Updating bibliography in entries 7104035-7104037, 7113553-7113555. Marking entries 7113553-7113555 as duplicates of entries 7104035-7104037. |
7113555.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. |
7113555.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. |
7113555.cif |
| 115126 | 2014-06-02 | cif/ Adding structures of 7113553, 7113554, 7113555 via cif-deposit CGI script. |
7113555.cif |
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