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Information card for entry 4080886
Preview
| Coordinates | 4080886.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Ti2(N2O)2(u-Se)2 |
|---|---|
| Formula | C20 H52 N4 O2 Se2 Si4 Ti2 |
| Calculated formula | C20 H52 N4 O2 Se2 Si4 Ti2 |
| Title of publication | Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands |
| Authors of publication | Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 10 |
| Pages of publication | 3091 |
| a | 11.6769 ± 0.0009 Å |
| b | 13.0496 ± 0.0009 Å |
| c | 14.0198 ± 0.0011 Å |
| α | 64.159 ± 0.007° |
| β | 71.134 ± 0.007° |
| γ | 69.448 ± 0.007° |
| Cell volume | 1763.2 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.1053 |
| Residual factor for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections | 0.0981 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1927 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4080886.cif |
| 178697 | 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 4/08/08. |
4080886.cif |
| 87314 | 2013-07-14 | cif/ Adding structures of 4080880, 4080881, 4080882, 4080883, 4080884, 4080885, 4080886, 4080887, 4080888, 4080889, 4080890, 4080891, 4080892, 4080893 via cif-deposit CGI script. |
4080886.cif |
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Users of the data should acknowledge the original authors of the
structural data.