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Information card for entry 4501039
Preview
| Coordinates | 4501039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H31 B Cl4 Cu F4 N3 P |
|---|---|
| Calculated formula | C35 H31 B Cl4 Cu F4 N3 P |
| Title of publication | 1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers |
| Authors of publication | Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 10 |
| Pages of publication | 4313 |
| a | 11.0271 ± 0.0015 Å |
| b | 17.337 ± 0.002 Å |
| c | 19.9735 ± 0.0016 Å |
| α | 90° |
| β | 102.459 ± 0.008° |
| γ | 90° |
| Cell volume | 3728.5 ± 0.7 Å3 |
| Cell temperature | 208 ± 2 K |
| Ambient diffraction temperature | 208 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0978 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for all reflections | 0.1434 |
| Weighted residual factors for significantly intense reflections | 0.1249 |
| Weighted residual factors for all reflections included in the refinement | 0.1434 |
| Goodness-of-fit parameter for all reflections | 1.06 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179541 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/10. |
4501039.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 {}' |
4501039.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501039.cif |
| 34740 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4501032, 4501033, 4501034, 4501035, 4501036, 4501037, 4501038, 4501039, 4501040, 4501041, 4501042, 4501043, 4501044, 4501045, 4501046, 4501047 via cif-deposit CGI script. |
4501039.cif |
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Users of the data should acknowledge the original authors of the
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