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Information card for entry 4072893
Preview
| Coordinates | 4072893.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H58 Mn2 N6 O6 P4 S5 |
|---|---|
| Calculated formula | C70 H58 Mn2 N6 O6 P4 S5 |
| SMILES | [Mn]1(P(=NC(SSSC2=C([P]([Mn](P(=N2)(c2ccccc2)c2ccccc2)(C#[O])(C#[O])(C#[O])C#[N]C(C)(C)C)(c2ccccc2)c2ccccc2)SC#N)=C([P]1(c1ccccc1)c1ccccc1)SC#N)(c1ccccc1)c1ccccc1)(C#[N]C(C)(C)C)(C#[O])(C#[O])C#[O] |
| Title of publication | Thiocyanogen Insertion into P−C Bonds of Diphosphinomethanide Complexes, Leading to Rare Functionalized Diphosphine and Tetraphosphine Ligands |
| Authors of publication | Ruiz, Javier; Quesada, Roberto; Vivanco, Marilín; García-Granda, Santiago; Díaz, M. Rosario |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 7 |
| Pages of publication | 1703 |
| a | 11.2755 ± 0.0004 Å |
| b | 16.4423 ± 0.0006 Å |
| c | 21.9661 ± 0.0011 Å |
| α | 72.807 ± 0.002° |
| β | 77.227 ± 0.002° |
| γ | 72.19 ± 0.003° |
| Cell volume | 3665.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1729 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.1609 |
| Weighted residual factors for all reflections included in the refinement | 0.2162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.844 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178617 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/28. |
4072893.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 {}' |
4072893.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072893.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072893.cif |
| 46058 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072892, 4072893, 4072894, 4072895 via cif-deposit CGI script. |
4072893.cif |
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Users of the data should acknowledge the original authors of the
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