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Information card for entry 4313921
Preview
| Coordinates | 4313921.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H140 N4 O16 Si8 Ti4 |
|---|---|
| Calculated formula | C76 H140 N4 O16 Si8 Ti4 |
| SMILES | C[Si](C)(C)N(c1c(cccc1C(C)C)C(C)C)[Si]12O[Ti]3(O[Si]4(N(c5c(cccc5C(C)C)C(C)C)[Si](C)(C)C)O[Ti]5(O[Si](O3)(N(c3c(cccc3C(C)C)C(C)C)[Si](C)(C)C)O[Ti](O[Si](N(c3c(cccc3C(C)C)C(C)C)[Si](C)(C)C)(O[Ti](O1)(O4)OC(C)(C)C)O5)(O2)OC(C)(C)C)OC(C)(C)C)OC(C)(C)C |
| Title of publication | Reactivity Studies, Structural Characterization, and Thermolysis of Cubic Titanosiloxanes: Precursors to Titanosilicate Materials Which Catalyze Olefin Epoxidation |
| Authors of publication | Ramaswamy Murugavel; Paul Davis; Vivekanand S. Shete |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 4696 - 4706 |
| a | 31.606 Å |
| b | 31.606 Å |
| c | 31.606 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 31572.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 220 |
| Hermann-Mauguin space group symbol | I -4 3 d |
| Hall space group symbol | I -4bd 2c 3 |
| Residual factor for all reflections | 0.1525 |
| Residual factor for significantly intense reflections | 0.0879 |
| Weighted residual factors for significantly intense reflections | 0.1754 |
| Weighted residual factors for all reflections included in the refinement | 0.2309 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4313921.cif |
| 179207 | 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 4/31/39. |
4313921.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313921.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313921.cif |
| 6993 | 2011-01-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4313921 via cif-deposit CGI script. |
4313921.cif |
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Users of the data should acknowledge the original authors of the
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