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Information card for entry 4341695
Preview
| Coordinates | 4341695.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H54 O12 Zr |
|---|---|
| Calculated formula | C30 H54 O12 Zr |
| SMILES | [Zr]12([O]=C(O1)C(C)(C)C)(OC(=O)C(C)(C)C)(OC(=O)C(C)(C)C)([O]=C(O2)C(C)(C)C)(OC(=O)C(C)(C)C)OC(=O)C(C)(C)C |
| Title of publication | Synthesis and Structural Characterization of Group 4 Metal Carboxylates for Nanowire Production. |
| Authors of publication | Boyle, Timothy J.; Yonemoto, Daniel T.; Doan, Thu Q.; Alam, Todd M. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Pages of publication | 141117102556003 |
| a | 11.357 ± 0.0008 Å |
| b | 19.37 ± 0.0013 Å |
| c | 35.211 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7745.9 ± 0.9 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0945 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1655 |
| Weighted residual factors for all reflections included in the refinement | 0.1945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.183 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179519 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/16. |
4341695.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4341695.cif |
| 127630 | 2014-11-21 | cif/ Adding structures of 4341693, 4341694, 4341695, 4341696, 4341697, 4341698, 4341699 via cif-deposit CGI script. |
4341695.cif |
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Users of the data should acknowledge the original authors of the
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