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Information card for entry 4312188
Preview
| Coordinates | 4312188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C101.5 H103 Cl7 Cu2 F24 Fe2 N8 P4 |
|---|---|
| Calculated formula | C132 H126 Cu3 F18 Fe3 N12 P3 |
| Title of publication | Chiral Induction in Self-Assembled Helicates: CHIRAGEN Type Ligands with Ferrocene Bridging Units |
| Authors of publication | Boris Quinodoz; Gaël Labat; Helen Stoeckli-Evans; Alex von Zelewsky |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 7994 - 8004 |
| a | 22.7441 ± 0.0013 Å |
| b | 24.1082 ± 0.0014 Å |
| c | 29.033 ± 0.002 Å |
| α | 90° |
| β | 106.965 ± 0.007° |
| γ | 90° |
| Cell volume | 15226.6 ± 1.7 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1316 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1275 |
| Weighted residual factors for all reflections included in the refinement | 0.1453 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.729 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4312188.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4312188.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4312188.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312188.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312188.cif |
| 3693 | 2010-11-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4312188 via cif-deposit CGI script. |
4312188.cif |
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