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Information card for entry 4063282
Preview
| Coordinates | 4063282.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H56 N4 Sn Ti3 |
|---|---|
| Calculated formula | C33 H56 N4 Sn Ti3 |
| SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Ti]16782345N2[Ti]3459%107([c]7([c]9([c]5([c]4([c]37C)C)C)C)C)(N1)N[Ti]134582%10([c]2([c]1([c]3([c]4([c]52C)C)C)C)C)N6[Sn](C)(C)C)C)C)C)C |
| Title of publication | Group 13 and 14 Alkyl Derivatives of the Imido-Nitrido Metalloligand [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] |
| Authors of publication | María García-Castro; Avelino Martín; Miguel Mena; Carlos Yélamos |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Pages of publication | 408 - 416 |
| a | 11.512 ± 0.0009 Å |
| b | 12.0957 ± 0.0008 Å |
| c | 13.315 ± 0.0017 Å |
| α | 95.601 ± 0.009° |
| β | 100.525 ± 0.008° |
| γ | 98.434 ± 0.007° |
| Cell volume | 1788.3 ± 0.3 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 | 0.0725 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1263 |
| Weighted residual factors for all reflections included in the refinement | 0.139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277847 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4063282.cif |
| 277846 | 2022-09-15 | cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines. |
4063282.cif |
| 120119 | 2014-07-12 | Adding DOIs for range 4/06 structures | 4063282.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063282.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4063282.cif |
| 38 | 2008-01-28 | Adding CIF files from the xyz-extraction/deposit/deposition-2008.01.28/cif/ directory. (Chemistry_Letters-2005-issues10-12 and Organometallics-2006-2007-issue2 ) |
4063282.cif |
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Users of the data should acknowledge the original authors of the
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