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Information card for entry 4077331
Preview
| Coordinates | 4077331.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H92 Au2 Cl4 F12 N4 P8 Ru |
|---|---|
| Calculated formula | C100 H92 Au2 Cl4 F12 N4 P8 Ru |
| Title of publication | Synthesis of the Metal-Containing Dinitrile Ligandtrans-[Ru(CNtBu)2{(PPh2)2CCN}2] as a Precursor of Polymetallic Species† |
| Authors of publication | Mosquera, Marta E. G.; Ruiz, Javier; Riera, Víctor; García-Granda, Santiago; Díaz, M. R.; Bois, Claudette |
| Journal of publication | Organometallics |
| Year of publication | 2001 |
| Journal volume | 20 |
| Journal issue | 17 |
| Pages of publication | 3821 |
| a | 13.329 ± 0.005 Å |
| b | 13.899 ± 0.005 Å |
| c | 13.969 ± 0.006 Å |
| α | 86.12 ± 0.07° |
| β | 81.26 ± 0.04° |
| γ | 86.62 ± 0.07° |
| Cell volume | 2548.9 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1755 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1655 |
| Weighted residual factors for all reflections included in the refinement | 0.2062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178662 (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 4/07/73. |
4077331.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 {}' |
4077331.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077331.cif |
| 54296 | 2012-04-24 | cif/ Adding structures of 4077331 via cif-deposit CGI script. |
4077331.cif |
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Users of the data should acknowledge the original authors of the
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