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Information card for entry 4508288
Preview
Coordinates | 4508288.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H8 N2 Na2 O16.18 S2 |
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Calculated formula | C14 H8 N2 Na2 O16.177 S2 |
SMILES | c1(cc(ccc1/C=C/c1c(cc(N(=O)=O)cc1)S(=O)(=O)[O-])N(=O)=O)S(=O)(=O)[O-].[Na+].O.[Na+].O.O.O.O.O.O |
Title of publication | Layered Dinitrostilbene-Based Molecular Solids with Tunable Micro/Nanostructures and the Reversible Fluorescent Response to Explosives |
Authors of publication | Yan, Dongpeng; Lin, Yanjun; Meng, Qingyun; Zhao, Minjun; Wei, Min |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 10 |
Pages of publication | 4495 |
a | 8.1287 ± 0.0011 Å |
b | 27.0318 ± 0.0014 Å |
c | 10.8606 ± 0.0004 Å |
α | 90° |
β | 99.894 ± 0.006° |
γ | 90° |
Cell volume | 2350.9 ± 0.4 Å3 |
Cell temperature | 102 ± 2 K |
Ambient diffraction temperature | 102 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0546 |
Residual factor for significantly intense reflections | 0.0454 |
Weighted residual factors for significantly intense reflections | 0.1189 |
Weighted residual factors for all reflections included in the refinement | 0.1249 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179618 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/82. |
4508288.cif |
88990 | 2013-10-09 | cif/ Adding structures of 4508288 via cif-deposit CGI script. |
4508288.cif |
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Users of the data should acknowledge the original authors of the
structural data.