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Information card for entry 7034472
Preview
Coordinates | 7034472.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [PPh4][FDNTz] |
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Formula | C26 H20 N3 O4 P |
Calculated formula | C26 H20 N3 O4 P |
SMILES | C(C#N)(=[N]([O-])=O)N(=O)=O.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | 5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates - Preparation and Characterization of New High Energy Compounds. |
Authors of publication | Haiges, Ralf; Christe, Karl O. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 22 |
Pages of publication | 10166 - 10176 |
a | 11.6601 ± 0.0008 Å |
b | 14.26 ± 0.0009 Å |
c | 13.4402 ± 0.0009 Å |
α | 90° |
β | 90.099 ± 0.001° |
γ | 90° |
Cell volume | 2234.7 ± 0.3 Å3 |
Cell temperature | 104 ± 2 K |
Ambient diffraction temperature | 104 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0476 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0922 |
Weighted residual factors for all reflections included in the refinement | 0.0988 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180050 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/44. |
7034472.cif |
138612 | 2015-06-07 | cif/ Updating files of 7034468, 7034469, 7034470, 7034471, 7034472, 7034473, 7034474 Original log message: Adding full bibliography for 7034468--7034474.cif. |
7034472.cif |
134111 | 2015-03-19 | cif/ Adding structures of 7034470, 7034471, 7034472 via cif-deposit CGI script. |
7034472.cif |
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Users of the data should acknowledge the original authors of the
structural data.