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Information card for entry 2234682
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| Coordinates | 2234682.cif |
|---|---|
| Structure factors | 2234682.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-2-[2-(4-Chlorobenzylidene)hydrazin-1-yl]- 4-{[3-(dimethylazaniumyl)propyl]amino}quinazolin-1-ium bis(perchlorate) |
|---|---|
| Formula | C20 H25 Cl3 N6 O8 |
| Calculated formula | C20 H25 Cl3 N6 O8 |
| Title of publication | (<i>E</i>)-2-[2-(4-Chlorobenzylidene)hydrazin-1-yl]-4-{[3-(dimethylazaniumyl)propyl]amino}quinazolin-1-ium bis(perchlorate) |
| Authors of publication | Jiang, Nan; Zuo, Jian; Wang, Haiyan; Han, Ming; Zhai, Xin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | o1557 - o1558 |
| a | 10.4533 ± 0.0018 Å |
| b | 10.5018 ± 0.0018 Å |
| c | 12.626 ± 0.002 Å |
| α | 104.745 ± 0.009° |
| β | 91.146 ± 0.01° |
| γ | 96.21 ± 0.01° |
| Cell volume | 1330.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0833 |
| Residual factor for significantly intense reflections | 0.0714 |
| Weighted residual factors for significantly intense reflections | 0.2066 |
| Weighted residual factors for all reflections included in the refinement | 0.2191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181268 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/46. |
2234682.cif 2234682.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2234682.cif 2234682.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234682.cif 2234682.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234682.cif 2234682.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234682.cif 2234682.hkl |
| 60166 | 2012-06-14 | cif/ Adding structures of 2234682 via cif-deposit CGI script. |
2234682.cif |
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Users of the data should acknowledge the original authors of the
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