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Information card for entry 7007201
Preview
| Coordinates | 7007201.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H38 N2 O10 Ti2 |
|---|---|
| Calculated formula | C34 H38 N2 O10 Ti2 |
| SMILES | c12cccc3C(=O)O[Ti]4567([n]23)(O[Ti]2389%10%11([n]%12c(cccc%12C(=O)O3)C(=O)O2)[c]2([c]9([c]%10([c]%11([c]82C)C)C)C)C)(OC1=O)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C.O |
| Title of publication | A new titanium building block for early-late heterometallic complexes; preparation of a new tetrameric metallomacrocycle by self assembly. |
| Authors of publication | Fandos, Rosa; Gallego, Beatriz; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Terreros, Pilar; Pastor, Cesar |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 22 |
| Pages of publication | 2683 - 2690 |
| a | 16.21 ± 0.002 Å |
| b | 14.42 ± 0.003 Å |
| c | 14.711 ± 0.004 Å |
| α | 90° |
| β | 104.87 ± 0.03° |
| γ | 90° |
| Cell volume | 3323.5 ± 1.3 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.1233 |
| Weighted residual factors for all reflections included in the refinement | 0.1384 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179776 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/72. |
7007201.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007201.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007201.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007201.cif |
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Users of the data should acknowledge the original authors of the
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