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Information card for entry 7113553
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| Coordinates | 7113553.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (Tris(N,N'-(2,2')bipyridinyl-5,5'-diyl-bis-carbamic acid diethyl ester)iron(ii))-sulfate- hemi-methanol - 3.2 water |
|---|---|
| Chemical name | [Tris(N,N'-[2,2']bipyridinyl-5,5'-diyl-bis-carbamic acid diethyl ester)iron(II)]- sulfate- hemi-methanol - 3.2 water |
| Formula | C48.5 H62.4 Fe N12 O19.7 S |
| Calculated formula | C48.5 H52 Fe N12 O19.7 S |
| 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 | 14.0449 ± 0.001 Å |
| b | 22.8722 ± 0.0016 Å |
| c | 18.811 ± 0.0013 Å |
| α | 90° |
| β | 100.833 ± 0.001° |
| γ | 90° |
| Cell volume | 5935.1 ± 0.7 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1622 |
| Residual factor for significantly intense reflections | 0.0825 |
| Weighted residual factors for significantly intense reflections | 0.2158 |
| Weighted residual factors for all reflections included in the refinement | 0.2524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.929 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7104035 |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7113553.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. |
7113553.cif |
| 115126 | 2014-06-02 | cif/ Adding structures of 7113553, 7113554, 7113555 via cif-deposit CGI script. |
7113553.cif |
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