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Information card for entry 7204295
Preview
| Coordinates | 7204295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (phenazine)(H2TCNDQ) |
|---|---|
| Formula | C30 H18 N6 |
| Calculated formula | C30 H18 N6 |
| SMILES | c1cc2nc3c(cccc3)nc2cc1.C(#N)C(C#N)c1ccc(c2ccc(C(C#N)C#N)cc2)cc1 |
| Title of publication | Charge transfer, proton transfer and clathrate compounds of dihydrotetracyanodiphenoquinodimethane (H2TCNDQ) having highly acidic protonsElectronic supplementary information (ESI) available: elemental analysis results for H2TCNDQ complexes. See http://www.rsc.org/suppdata/jm/b1/b109503j/ |
| Authors of publication | Nishimura, Kazukuni; Khasanov, Salavat S.; Saito, Gunzi |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2002 |
| Journal volume | 12 |
| Journal issue | 6 |
| Pages of publication | 1693 |
| a | 7.073 ± 0.0012 Å |
| b | 7.338 ± 0.0009 Å |
| c | 12.674 ± 0.003 Å |
| α | 74.474 ± 0.011° |
| β | 89.585 ± 0.01° |
| γ | 65.92 ± 0.01° |
| Cell volume | 574.74 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0969 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.125 |
| Weighted residual factors for all reflections included in the refinement | 0.148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180373 (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 7/20/42. |
7204295.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7204295.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204295.cif |
| 11752 | 2011-02-18 | cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script. |
7204295.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7204295.cif |
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