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Information card for entry 7205712
Preview
Coordinates | 7205712.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | phenazine:tetrafluoro-1,2-diiodobenzene 1/1 |
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Chemical name | phenazine:tetrafluoro-1,2-diiodobenzene 1/1 |
Formula | C18 H8 F4 I2 N2 |
Calculated formula | C18 H8 F4 I2 N2 |
Title of publication | Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts |
Authors of publication | Cinčić, Dominik; Friščić, Tomislav; Jones, William |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 9 |
Pages of publication | 3224 |
a | 14.3077 ± 0.0003 Å |
b | 7.6892 ± 0.0002 Å |
c | 20.0916 ± 0.0004 Å |
α | 90° |
β | 125.881 ± 0.001° |
γ | 90° |
Cell volume | 1790.92 ± 0.07 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0766 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.104 |
Weighted residual factors for all reflections included in the refinement | 0.1259 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180388 (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 7/20/57. |
7205712.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205712.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205712.cif |
20995 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205710, 7205711, 7205712, 7205713 via cif-deposit CGI script. |
7205712.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.