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Information card for entry 7212627
Preview
Coordinates | 7212627.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H18 F6 P2 |
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Calculated formula | C19 H18 F6 P2 |
SMILES | [P+](C)(c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Hirshfeld surface analysis of phosphonium salts |
Authors of publication | Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L. |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 12 |
Pages of publication | 4321 |
a | 10.496 ± 0.0005 Å |
b | 13.6086 ± 0.0006 Å |
c | 13.6691 ± 0.0011 Å |
α | 87.766 ± 0.005° |
β | 87.959 ± 0.005° |
γ | 74.793 ± 0.004° |
Cell volume | 1882 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1447 |
Residual factor for significantly intense reflections | 0.1249 |
Weighted residual factors for significantly intense reflections | 0.3227 |
Weighted residual factors for all reflections included in the refinement | 0.3317 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180457 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/26. |
7212627.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 {}' |
7212627.cif |
93180 | 2014-01-12 | cif/ Adding structures of 7212626, 7212627, 7212628, 7212629, 7212630, 7212631, 7212632, 7212633, 7212634, 7212635, 7212636 via cif-deposit CGI script. |
7212627.cif |
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Users of the data should acknowledge the original authors of the
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