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Information card for entry 4344906
Preview
| Coordinates | 4344906.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C62 H96 Cl O4 Ti |
|---|---|
| Calculated formula | C62 H96 Cl O4 Ti |
| Title of publication | Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton. |
| Authors of publication | Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 13 |
| Pages of publication | 6643 - 6652 |
| a | 15.451 ± 0.002 Å |
| b | 16.269 ± 0.002 Å |
| c | 24.655 ± 0.003 Å |
| α | 90.592 ± 0.003° |
| β | 90.993 ± 0.003° |
| γ | 112.104 ± 0.004° |
| Cell volume | 5740.3 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1141 |
| Residual factor for significantly intense reflections | 0.0852 |
| Weighted residual factors for significantly intense reflections | 0.2784 |
| Weighted residual factors for all reflections included in the refinement | 0.2975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4344906.cif |
| 184836 | 2016-08-04 | cif/ Adding structures of 4344906 via cif-deposit CGI script. |
4344906.cif |
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Users of the data should acknowledge the original authors of the
structural data.