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Information card for entry 1501459
Preview
Coordinates | 1501459.cif |
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Original paper (by DOI) | HTML |
Formula | C28.75 H22 Li N0.5 O4.25 S4 |
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Calculated formula | C28.75 H21.5 In Li N0.5 O4.25 S4 |
Title of publication | New Metalloligands [M(SC{O}Ph)4]-: Synthesis and Characterization of Polymeric [A(MeCN)x{M(SC{O}Ph)4}] Compounds (A = Li, Na and K; M = Ga and In; x= 0-2) |
Authors of publication | Theivanayagam C. Deivaraj; Wei Hoon Lye; Jagadese J. Vittal |
Journal of publication | Inorganic Chemistry |
Year of publication | 2002 |
Journal volume | 41 |
Pages of publication | 3755 - 3760 |
a | 24.5766 ± 0.0008 Å |
b | 13.2758 ± 0.0005 Å |
c | 19.9983 ± 0.0008 Å |
α | 90° |
β | 108.426 ± 0.001° |
γ | 90° |
Cell volume | 6190.4 ± 0.4 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0722 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.1089 |
Weighted residual factors for all reflections included in the refinement | 0.1166 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
287984 (current) | 2023-12-04 | cif/1/50/14/ Correct changelog date in entries 1501458-1501460. |
1501459.cif |
287983 | 2023-12-04 | cif/1/50/14/ Changed the atom site label from '1' to 'In1' in multiple data loops for consistency and readability in entries 1501458-1501460. |
1501459.cif |
176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1501459.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 {}' |
1501459.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1501459.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501459.cif |
22863 | 2011-08-04 | cif/1/ Fixing journal name in three recently deposited entries. |
1501459.cif |
14515 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 1501459 via cif-deposit CGI script. |
1501459.cif |
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