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Information card for entry 7027507
Preview
| Coordinates | 7027507.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H60 O12 Ti3 |
|---|---|
| Calculated formula | C30 H60 O12 Ti3 |
| Title of publication | An open chain trinuclear titanium(IV) isopropoxide species formed with the tridentate ligand cis,cis‒cyclohexane‒1,3,5-trialkoxide [C6H9O3]3−. Crystal structure of [{Ti(OPri)3}2{μ-Ti(C6H9O3-O1,O5)2}] |
| Authors of publication | Corden, Jonathan P.; Errington, William; Moore, Peter; Partridge, Martin G.; Wallbridge, Malcolm G. H. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1999 |
| Journal issue | 16 |
| Pages of publication | 2647 |
| a | 19.1305 ± 0.0006 Å |
| b | 9.8798 ± 0.0002 Å |
| c | 20.7186 ± 0.0006 Å |
| α | 90° |
| β | 91.66° |
| γ | 90° |
| Cell volume | 3914.29 ± 0.18 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1622 |
| Residual factor for significantly intense reflections | 0.0887 |
| Weighted residual factors for significantly intense reflections | 0.1481 |
| Weighted residual factors for all reflections included in the refinement | 0.1812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
7027507.cif |
| 179981 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/75. |
7027507.cif |
| 95427 | 2014-01-28 | cif/ Adding structures of 7027507 via cif-deposit CGI script. |
7027507.cif |
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Users of the data should acknowledge the original authors of the
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