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Information card for entry 8101685
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Coordinates | 8101685.cif |
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Chemical name | bis(triphenylphosphine)hexakis(phenylselenido)tetramercury(II) |
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Formula | C84 H70 Hg4 P2 Se8 |
Calculated formula | C84 H70 Hg4 P2 Se8 |
Title of publication | Crystal structure of bis(triphenylphosphine)hexakis(μ-phenylselenido) bis(phenylselenido)tetramercury(II), Hg~4~[P(C~6~H~5~)~3~]~2~(C~6~H~5~Se) ~8~ |
Authors of publication | R.-F. Wang; W.-G. Zhang; J. Fan; S.-L. Wang |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2005 |
Journal volume | 220 |
Journal issue | 1 |
Pages of publication | 61 - 64 |
a | 13.7322 ± 0.0011 Å |
b | 14.7879 ± 0.0012 Å |
c | 22.6406 ± 0.0018 Å |
α | 73.095 ± 0.002° |
β | 73.579 ± 0.002° |
γ | 65.783 ± 0.001° |
Cell volume | 3940.9 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0451 |
Residual factor for significantly intense reflections | 0.0319 |
Weighted residual factors for significantly intense reflections | 0.0651 |
Weighted residual factors for all reflections included in the refinement | 0.0707 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101685.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 {}' |
8101685.cif |
107925 | 2014-03-23 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101685.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101685.cif |
12424 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101685 via cif-deposit CGI script. |
8101685.cif |
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Users of the data should acknowledge the original authors of the
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