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Information card for entry 7032793
Preview
| Coordinates | 7032793.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 13119b |
|---|---|
| Formula | C36 H33 B N6 Ni S |
| Calculated formula | C36 H33 B N6 Ni S |
| SMILES | [Ni]12([n]3n([BH](n4[n]1c(cc4C)c1ccccc1)n1[n]2c(cc1C)c1ccccc1)c(C)cc3c1ccccc1)Sc1ccccc1 |
| Title of publication | Steric and electronic effects on arylthiolate coordination in the pseudotetrahedral complexes [(Tp(Ph,Me))Ni-SAr] (Tp(Ph,Me) = hydrotris{3-phenyl-5-methyl-1-pyrazolyl}borate). |
| Authors of publication | Deb, Tapash; Anderson, Caitlin M.; Chattopadhyay, Swarup; Ma, Huaibo; Young, Victor G.; Jensen, Michael P. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 46 |
| Pages of publication | 17489 - 17499 |
| a | 19.4003 ± 0.0018 Å |
| b | 11.1367 ± 0.001 Å |
| c | 29.827 ± 0.003 Å |
| α | 90° |
| β | 95.868 ± 0.001° |
| γ | 90° |
| Cell volume | 6410.5 ± 1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0637 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.0944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180033 (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 7/03/27. |
7032793.cif |
| 126400 | 2014-11-06 | cif/ Updating files of 7032793, 7032794, 7032795 Original log message: Adding full bibliography for 7032793--7032795.cif. |
7032793.cif |
| 125262 | 2014-10-11 | cif/ Adding structures of 7032793, 7032794, 7032795 via cif-deposit CGI script. |
7032793.cif |
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