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Information card for entry 4085618
Preview
| Coordinates | 4085618.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H80 Hf2 N4 O2 P4 S2 Si2 |
|---|---|
| Calculated formula | C64 H80 Hf2 N4 O2 P4 S2 Si2 |
| SMILES | [Hf]1234(O[Hf]56(C1(=P(c1ccccc1)(c1ccccc1)S4)P(c1ccccc1)(c1ccccc1)=[N]6[Si](C)(C)C)(C2(=P(c1ccccc1)(c1ccccc1)S5)P(c1ccccc1)(c1ccccc1)=[N]3[Si](C)(C)C)N(C)C)N(C)C.CCOCC |
| Title of publication | Oxo-Bridged Bis(group 4 metal unsymmetric phosphonium-stabilized carbene) Complexes |
| Authors of publication | Guo, Jia-Yi; Chan, Yuk-Chi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 7 |
| Pages of publication | 1238 |
| a | 12.7016 ± 0.0005 Å |
| b | 17.771 ± 0.0006 Å |
| c | 14.4417 ± 0.0005 Å |
| α | 90° |
| β | 92.436 ± 0.002° |
| γ | 90° |
| Cell volume | 3256.8 ± 0.2 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0471 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178745 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/56. |
4085618.cif |
| 138299 | 2015-06-05 | cif/ Updating files of 4085616, 4085617, 4085618, 4085619, 4085620, 4085621, 4085622 Original log message: Adding full bibliography for 4085616--4085622.cif. |
4085618.cif |
| 133960 | 2015-03-17 | cif/ Adding structures of 4085616, 4085617, 4085618, 4085619, 4085620, 4085621, 4085622 via cif-deposit CGI script. |
4085618.cif |
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Users of the data should acknowledge the original authors of the
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