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Information card for entry 4072892
Preview
| Coordinates | 4072892.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H58 Mn2 N6 O6 P4 S4 |
|---|---|
| Calculated formula | C70 H58 Mn2 N6 O6 P4 S4 |
| SMILES | [Mn]1(P(=NC(=C([P]1(c1ccccc1)c1ccccc1)SC#N)SSC1N=P([Mn]([P](C=1SC#N)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[N]C(C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[N]C(C)(C)C |
| 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 | 11.1915 ± 0.0007 Å |
| b | 17.3864 ± 0.0007 Å |
| c | 18.9243 ± 0.0009 Å |
| α | 104.54 ± 0.003° |
| β | 94.546 ± 0.005° |
| γ | 90.072 ± 0.005° |
| Cell volume | 3552.3 ± 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 | 0.0732 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1315 |
| Weighted residual factors for all reflections included in the refinement | 0.142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.926 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193981 (current) | 2017-03-05 | cod/ (antanas@kurmis) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5006). The correction was mainly focused on removing misspelt versions of the '_geom_*' data items. |
4072892.cif |
| 178617 | 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. |
4072892.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072892.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072892.cif |
| 46058 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072892, 4072893, 4072894, 4072895 via cif-deposit CGI script. |
4072892.cif |
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