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Information card for entry 4069384
Preview
| Coordinates | 4069384.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H34 Cl N3 O2 Pd Sn |
|---|---|
| Calculated formula | C23 H34 Cl N3 O2 Pd Sn |
| SMILES | [Sn]12([Pd]3(Cl)[N](Cc4c3cccc4)(C)C)(OC(=O)C)[N](Cc3c2c(ccc3)C[N]1(C)C)(C)C |
| Title of publication | Palladium and Molybdenum Complexes of the Heteroleptic Organostannylene [2,6-(Me2NCH2)2C6H3]SnCl |
| Authors of publication | Martincová, Jana; Jambor, Roman; Schürmann, Markus; Jurkschat, Klaus; Honzíček, Jan; Almeida Paz, Filipe A. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 16 |
| Pages of publication | 4778 - 4782 |
| a | 9.5414 ± 0.0013 Å |
| b | 9.6605 ± 0.0016 Å |
| c | 14.696 ± 0.002 Å |
| α | 93.684 ± 0.006° |
| β | 90.18 ± 0.008° |
| γ | 108.526 ± 0.008° |
| Cell volume | 1281.4 ± 0.3 Å3 |
| Cell temperature | 173 ± 1 K |
| Ambient diffraction temperature | 173 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0831 |
| Residual factor for significantly intense reflections | 0.0276 |
| Weighted residual factors for significantly intense reflections | 0.0456 |
| Weighted residual factors for all reflections included in the refinement | 0.0526 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.519 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209862 (current) | 2018-08-17 | cif/4/ Updating bibliography in entries 4069383-4069384, 4083451. Marking entry 4083451 as a duplicate of entry 4069383. |
4069384.cif |
| 178582 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/93. |
4069384.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 {}' |
4069384.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069384.cif |
| 40273 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069384 via cif-deposit CGI script. |
4069384.cif |
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Users of the data should acknowledge the original authors of the
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