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Information card for entry 7023294
Preview
| Coordinates | 7023294.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C142 H122 Co16 N16 O41 |
|---|---|
| Calculated formula | C140 H114 Co16 N16 O39 |
| SMILES | c1(ccccc1)C(=O)O[Co]12[N]3[O]45[Co]6789[OH]1[Co]1%10%11([O]%12%13[N]2=C(O[Co]2%14%13[N]%13=C(c%15ccccc%15)[O]%15[Co]%16%17%18([n]%19cccc%20ccc%21ccc[n]%16c%21c%19%20)OC(=N[O]%17[Co]%16%17%19%20[O]%21%22[N]%23=C(c%24ccccc%24)O[Co]%24%21([N](=C(c%21ccccc%21)O2)[O]%10%14%20)OC(=[N]2[Co]%10%14%20[O](C)[Co]%25%26([n]%27cccc%28ccc%29ccc[n]%26c%29c%27%28)(OC(=N[O]6%25)c6ccccc6)[O]%10C(=[N]6[Co]%10%21%25OC(=[N]%26[O]%27%10[Co]%22([O]67%14)([O]=C(c6ccccc6)O%20)([O]12%24)[O]19%11%19[Co]264%12[O]%13%17[Co]%15([N]4=C(c7ccccc7)O[Co]75([N](=C(c5ccccc5)O%21)[O]8%25[Co]1%27([OH]%16[Co]%23%26OC(=O)c1ccccc1)([O]647)[OH]C)OC=3c1ccccc1)([O]=C(c1ccccc1)O2)[OH]%18C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[OH]C |
| Title of publication | A Co16 cluster and a 1-D Mn chain complex supported by benzohydroxamic acid. |
| Authors of publication | Cao, Yanyuan; Chen, Yanmei; Li, Lei; Gao, Dandan; Liu, Wei; Hu, Hailiang; Li, Wu; Li, Yahong |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 30 |
| Pages of publication | 10912 - 10918 |
| a | 15.3342 ± 0.0004 Å |
| b | 16.9161 ± 0.0005 Å |
| c | 17.3028 ± 0.0008 Å |
| α | 97.768 ± 0.002° |
| β | 107.154 ± 0.002° |
| γ | 115.773 ± 0.001° |
| Cell volume | 3676.6 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.145 |
| Residual factor for significantly intense reflections | 0.0722 |
| Weighted residual factors for significantly intense reflections | 0.211 |
| Weighted residual factors for all reflections included in the refinement | 0.2411 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.898 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179937 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/32. |
7023294.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 {}' |
7023294.cif |
| 90488 | 2013-11-17 | cif/ Adding structures of 7023294, 7023295, 7023296 via cif-deposit CGI script. |
7023294.cif |
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structural data.