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Information card for entry 7205995
Preview
Coordinates | 7205995.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C7 H4 Cl2 Cs2 N2 O5 |
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Calculated formula | C7 H4 Cl2 Cs2 N2 O5 |
SMILES | C1(=C(C(=O)C([O-])=C(C1=O)Cl)Cl)[O-].[Cs+].O=C(N)N.[Cs+] |
Title of publication | Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water |
Authors of publication | Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 12 |
Pages of publication | 4211 |
a | 11.8722 ± 0.0004 Å |
b | 12.9955 ± 0.0004 Å |
c | 8.1575 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1258.58 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for significantly intense reflections | 0.0579 |
Weighted residual factors for all reflections included in the refinement | 0.1652 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.879 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180390 (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 7/20/59. |
7205995.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205995.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205995.cif |
21306 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7205995, 7205996, 7205997, 7205998 via cif-deposit CGI script. |
7205995.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.