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Information card for entry 4318183
Preview
| Coordinates | 4318183.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 99323m_Ti2(trisphenolate)2(O-t-Bu)2 |
|---|---|
| Formula | C116 H184 O15 Ti2 |
| Calculated formula | C116 H184 O15 Ti2 |
| Title of publication | Linear Trimer Analogues of Calixarene as Chiral Coordinating Ligands: X-ray Crystallographic and NMR Spectroscopic Characterization of Chiral and Achiral Trisphenolates Complexed to Titanium(IV) and Aluminum(III) |
| Authors of publication | William O. Appiah; Angela D. DeGreeff; Gina L. Razidlo; Sarah J. Spessard; Maren Pink; Victor G. Young,; Gretchen E. Hofmeister |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 3656 - 3667 |
| a | 14.688 ± 0.0013 Å |
| b | 15.4702 ± 0.0014 Å |
| c | 15.8721 ± 0.0014 Å |
| α | 117.321 ± 0.001° |
| β | 108.001 ± 0.002° |
| γ | 99.821 ± 0.002° |
| Cell volume | 2831.5 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1371 |
| Residual factor for significantly intense reflections | 0.0705 |
| Weighted residual factors for significantly intense reflections | 0.1785 |
| Weighted residual factors for all reflections included in the refinement | 0.2177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179261 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/81. |
4318183.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318183.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318183.cif |
| 14482 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4318183 via cif-deposit CGI script. |
4318183.cif |
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Users of the data should acknowledge the original authors of the
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