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Information card for entry 8102602
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| Coordinates | 8102602.cif |
|---|
| Common name | not measured |
|---|---|
| Chemical name | 2,3-dichloro-5,6-dicyano-1,4-dihydroxybenzene— 1,4-dioxane (1:1), C~8~H~2~Cl~2~N~2~O~2~ . C~4~H~8~O~2~ |
| Formula | C12 H10 Cl2 N2 O4 |
| Calculated formula | C12 H10 Cl2 N2 O4 |
| Title of publication | Crystal structure of 2,3-dichloro-5,6-dicyano-1,4-dihydroxybenzene — 1,4-dioxane (1:1), C8H2Cl2N2O2 · C4H8O2 |
| Authors of publication | Wei-Qiu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 1 |
| Pages of publication | 95 |
| a | 6.773 Å |
| b | 9.132 Å |
| c | 21.691 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1341.61 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0695 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0573 |
| Weighted residual factors for all reflections included in the refinement | 0.0632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201369 (current) | 2017-09-27 | cif/ (antanas@echidna.ibt.lt) Removing the _chemical_melting_point data item in entries 1504567, 1504568, 1507448, 1520058, 1520060, 1520061, 2013332, 2017554, 2106777, 2106778, 2202075, 4315432, 4315497, 4341465, 7215126, 7223978, 8100256, 8100736, 8102602, 8103310 since it contained the _chemical_formula_sum data item values and not the melting temperature. |
8102602.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102602.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102602.cif |
| 13341 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102602 via cif-deposit CGI script. |
8102602.cif |
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