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Information card for entry 7054236
Preview
Coordinates | 7054236.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H35 N10 O5 S4 Y |
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Calculated formula | C34 H33 N10 O5 S4 Y |
Title of publication | Supramolecular aggregation of yttrium thiocyanate with 4,4′-bipyridine |
Authors of publication | Petrosyants, Svetlana; Dobrokhotova, Zhanna; Ilyukhin, Andrey; Novotortsev, Vladimir |
Journal of publication | New Journal of Chemistry |
Year of publication | 2014 |
Journal volume | 38 |
Journal issue | 8 |
Pages of publication | 3803 |
a | 11.8885 ± 0.0006 Å |
b | 15.5251 ± 0.0009 Å |
c | 22.7683 ± 0.0011 Å |
α | 90° |
β | 102.245 ± 0.002° |
γ | 90° |
Cell volume | 4106.7 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.1064 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.0939 |
Weighted residual factors for all reflections included in the refinement | 0.1179 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180096 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/42. |
7054236.cif |
121737 | 2014-08-08 | cif/ Updating files of 7054233, 7054234, 7054235, 7054236, 7054237, 7054238, 7054239 Original log message: Adding full bibliography for 7054233--7054239.cif. |
7054236.cif |
114960 | 2014-05-31 | cif/ Adding structures of 7054233, 7054234, 7054235, 7054236, 7054237, 7054238, 7054239 via cif-deposit CGI script. |
7054236.cif |
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Users of the data should acknowledge the original authors of the
structural data.