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Information card for entry 7201170
Preview
| Coordinates | 7201170.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C51 H49 Cl7 N12 |
|---|---|
| Calculated formula | C51 H49 Cl7 N12 |
| SMILES | Clc1ccc(N=Nc2[nH]c(cc2)C(CC)(CC)c2[nH]c(N=Nc3ccc(Cl)cc3)cc2)cc1.C(Cl)(Cl)Cl |
| Title of publication | Crystal engineering of 5,5′-bisdiazo-dipyrromethane with halogen⋯π synthons |
| Authors of publication | Yin, Zhenming; Wang, Wuyan; Du, Miao; Wang, Xiuguang; Guo, Jianhua |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 2441 |
| a | 12.1 ± 0.005 Å |
| b | 14.317 ± 0.005 Å |
| c | 17.195 ± 0.006 Å |
| α | 96.321 ± 0.004° |
| β | 103.106 ± 0.004° |
| γ | 108.281 ± 0.006° |
| Cell volume | 2701.4 ± 1.7 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1063 |
| Residual factor for significantly intense reflections | 0.0876 |
| Weighted residual factors for significantly intense reflections | 0.2593 |
| Weighted residual factors for all reflections included in the refinement | 0.2788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7201170.cif |
| 180342 | 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 7/20/11. |
7201170.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201170.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201170.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201170.cif |
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