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Information card for entry 7113582
Preview
| Coordinates | 7113582.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (eta$5!-methylcyclopentadienyl)-bis(dimethylphosphino)ethane- vinyl-bis(triphenylstannyl)acetylide-manganese(i) |
|---|---|
| Chemical name | (η^5^-methylcyclopentadienyl)-bis(dimethylphosphino)ethane-vinyl- bis(triphenylstannyl)acetylide-manganese(I) |
| Formula | C52 H53 Mn P2 Sn2 |
| Calculated formula | C52 H53 Mn P2 Sn2 |
| SMILES | [Sn](C(=C=[Mn]12345([P](CC[P]1(C)C)(C)C)[cH]1[c]5([cH]4[cH]3[cH]21)C)C#C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | A facile and novel route to unprecedented manganese C4 cumulenic complexes |
| Authors of publication | Venkatesan, Koushik; Fernández, Francisco J.; Blacque, Olivier; Fox, Thomas; Alfonso, Montserrat; Schmalle, Helmut W.; Berke, Heinz |
| Journal of publication | Chemical Communications |
| Year of publication | 2003 |
| Journal issue | 16 |
| Pages of publication | 2006 |
| a | 11.1101 ± 0.0005 Å |
| b | 16.0437 ± 0.0005 Å |
| c | 26.504 ± 0.0005 Å |
| α | 90° |
| β | 96.074 ± 0.006° |
| γ | 90° |
| Cell volume | 4697.7 ± 0.3 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1146 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.076 |
| Weighted residual factors for all reflections included in the refinement | 0.0897 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.612 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103832 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180249 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35. |
7113582.cif |
| 176867 | 2016-02-24 | cif/7/ Fixing bibliographies for entries 710383[23], 711358[23]. Marking latter two as duplicates of the former two. |
7113582.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 {}' |
7113582.cif |
| 115143 | 2014-06-02 | cif/ Adding structures of 7113582, 7113583 via cif-deposit CGI script. |
7113582.cif |
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Users of the data should acknowledge the original authors of the
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