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Information card for entry 4500262
Preview
Coordinates | 4500262.cif |
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Original paper (by DOI) | HTML |
Formula | C43.5 H32.5 N10.5 O9 Zn2 |
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Calculated formula | C43.5 H27.5 N10.5 O9 Zn2 |
Title of publication | Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties |
Authors of publication | Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 5 |
Pages of publication | 1475 |
a | 23.987 ± 0.005 Å |
b | 16.74 ± 0.003 Å |
c | 16.896 ± 0.003 Å |
α | 90° |
β | 95.55 ± 0.03° |
γ | 90° |
Cell volume | 6753 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0901 |
Residual factor for significantly intense reflections | 0.0623 |
Weighted residual factors for significantly intense reflections | 0.1983 |
Weighted residual factors for all reflections included in the refinement | 0.2173 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4500262.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 {}' |
4500262.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500262.cif |
34425 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500258, 4500259, 4500260, 4500261, 4500262, 4500263, 4500264, 4500265, 4500266, 4500267 via cif-deposit CGI script. |
4500262.cif |
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