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Information card for entry 4085842
Preview
Coordinates | 4085842.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H35 Cl N3 Ta |
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Calculated formula | C26 H35 Cl N3 Ta |
SMILES | [Ta](Cl)(N(C)C)(N(C)C)(N(C)C)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C |
Title of publication | Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds |
Authors of publication | Sattler, Aaron; Parkin, Gerard |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 10 |
Pages of publication | 1828 |
a | 9.6031 ± 0.0013 Å |
b | 14.944 ± 0.002 Å |
c | 17.795 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2553.7 ± 0.6 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0276 |
Residual factor for significantly intense reflections | 0.0248 |
Weighted residual factors for significantly intense reflections | 0.0544 |
Weighted residual factors for all reflections included in the refinement | 0.0555 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4085842.cif |
141375 | 2015-07-09 | cif/ Updating files of 4085842, 4085843, 4085844, 4085845, 4085846, 4085847, 4085848, 4085849, 4085850, 4085851, 4085852, 4085853, 4085854, 4085855, 4085856, 4085857 Original log message: Adding full bibliography for 4085842--4085857.cif. |
4085842.cif |
136846 | 2015-05-18 | cif/ Adding structures of 4085842, 4085843, 4085844, 4085845, 4085846, 4085847, 4085848, 4085849, 4085850, 4085851, 4085852, 4085853, 4085854, 4085855, 4085856, 4085857 via cif-deposit CGI script. |
4085842.cif |
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Users of the data should acknowledge the original authors of the
structural data.