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Information card for entry 4320905
Preview
| Coordinates | 4320905.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Nb(NBu-t)Cl2(py){eta2-N(SiMe3)CH2CH2N(H)CH2CH2(SiMe3)2}] |
|---|---|
| Formula | C22 H50 Cl2 N5 Nb Si3 |
| Calculated formula | C22 H50 Cl2 N5 Nb Si3 |
| Title of publication | Titanium and Niobium Imido Complexes Derived from Diamidoamine Ligands |
| Authors of publication | Philip E. Collier; Stephen M. Pugh; Howard S. C. Clark; Jason B. Love; Alexander J. Blake; F. Geoffrey N. Cloke; Philip Mountford |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 2001 - 2005 |
| a | 9.0658 ± 0.0011 Å |
| b | 25.1387 ± 0.0024 Å |
| c | 15.1849 ± 0.0015 Å |
| α | 90° |
| β | 104.989 ± 0.01° |
| γ | 90° |
| Cell volume | 3342.9 ± 0.6 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 6 |
| 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 | 0.0512 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for all reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.043 |
| Goodness-of-fit parameter for all reflections | 1.272 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4320905.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4320905.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 {}' |
4320905.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320905.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320905.cif |
| 18227 | 2011-04-28 | ../uploads/cif-deposit/cod/cif Adding structures of 4320905 via cif-deposit CGI script. |
4320905.cif |
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Users of the data should acknowledge the original authors of the
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