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Information card for entry 8103180
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| Coordinates | 8103180.cif |
|---|
| Formula | C102 H77 Cu4 N12 O0.5 P4 S4 |
|---|---|
| Calculated formula | C102 H77 Cu4 N12 O0.5 P4 S4 |
| Title of publication | Crystal structure of (?-bis(diphenylphosphinomethane-?2P,P'))bis(1,10-phenanthroline-?2N,N')bis(thiocyanate-?N)copper(I) — water (1:0.25), [Cu2(C25H22P2)(C12H8N2)2(CNS)2]2 · 0.5H2O |
| Authors of publication | Ye-Lan Xiao; Zhong-Feng Li; Rong Wang; Qiong-Hua Jin; Wei Yang; Cun-Lin Zhang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 3 |
| Pages of publication | 400 |
| a | 44.599 ± 0.003 Å |
| b | 9.7687 ± 0.0013 Å |
| c | 22.37 ± 0.002 Å |
| α | 90° |
| β | 110.832 ± 0.002° |
| γ | 90° |
| Cell volume | 9108.9 ± 1.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1188 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.1421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8103180.cif |
| 176466 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103180.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 {}' |
8103180.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103180.cif |
| 29189 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 8103180 via cif-deposit CGI script. |
8103180.cif |
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Users of the data should acknowledge the original authors of the
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