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Information card for entry 7202020
Preview
| Coordinates | 7202020.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H26 N6 |
|---|---|
| Calculated formula | C25 H26 N6 |
| SMILES | N(=N/c1[nH]c(cc1)C(c1[nH]c(/N=N/c2ccccc2)cc1)(CC)CC)\c1ccccc1 |
| Title of publication | Quadruple hydrogen bonded self-assemblies of 5,5′-bisdiazo-dipyrromethane |
| Authors of publication | Yin, Zhenming; Wang, Wuyan; Guo, Jianhua; Wang, Jiachun; He, Jiaqi; Cheng, Jin-Pei |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 8 |
| Pages of publication | 957 |
| a | 18.264 ± 0.005 Å |
| b | 20.537 ± 0.005 Å |
| c | 24.233 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9090 ± 4 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0731 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.1321 |
| Weighted residual factors for all reflections included in the refinement | 0.1363 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180351 (current) | 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 7/20/20. |
7202020.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202020.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202020.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
7202020.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7202020.cif |
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Users of the data should acknowledge the original authors of the
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