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Information card for entry 7200722
Preview
| Coordinates | 7200722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H26 Cl2 N4 O2 |
|---|---|
| Calculated formula | C19 H26 Cl2 N4 O2 |
| SMILES | c1(CCCCCc2[nH]c3ccccc3[nH+]2)[nH]c2ccccc2[nH+]1.[Cl-].O.[Cl-].O |
| Title of publication | Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts |
| Authors of publication | Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F. |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 7 |
| Pages of publication | 1416 |
| a | 11.3088 ± 0.0009 Å |
| b | 14.4566 ± 0.0012 Å |
| c | 13.4445 ± 0.0012 Å |
| α | 90° |
| β | 109.661 ± 0.009° |
| γ | 90° |
| Cell volume | 2069.9 ± 0.3 Å3 |
| Cell temperature | 200 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 significantly intense reflections | 0.029 |
| Weighted residual factors for all reflections included in the refinement | 0.029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7200722.cif |
| 180338 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/07. |
7200722.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 {}' |
7200722.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7200722.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7200722.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7200722.cif |
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Users of the data should acknowledge the original authors of the
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