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Information card for entry 4122910
Preview
Coordinates | 4122910.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H74 F12 Ir2 N8 O14 S8 |
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Calculated formula | C57 H66 F12 Ir2 N8 O13 S8 |
Title of publication | H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders. |
Authors of publication | Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 41 |
Pages of publication | 14608 |
a | 12.2035 ± 0.001 Å |
b | 17.833 ± 0.0015 Å |
c | 19.246 ± 0.003 Å |
α | 105.581 ± 0.002° |
β | 97.204 ± 0.002° |
γ | 109.42 ± 0.001° |
Cell volume | 3697.2 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0771 |
Residual factor for significantly intense reflections | 0.0582 |
Weighted residual factors for significantly intense reflections | 0.1685 |
Weighted residual factors for all reflections included in the refinement | 0.1915 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179031 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/29. |
4122910.cif |
126729 | 2014-11-10 | cif/ Adding structures of 4122907, 4122908, 4122909, 4122910, 4122911, 4122912, 4122913, 4122914, 4122915, 4122916, 4122917, 4122918, 4122919, 4122920, 4122921, 4122922 via cif-deposit CGI script. |
4122910.cif |
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Users of the data should acknowledge the original authors of the
structural data.