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Information card for entry 7030856
Preview
| Coordinates | 7030856.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H46 N24 O26 Sm2 |
|---|---|
| Calculated formula | C32 H46 N24 O26 Sm2 |
| SMILES | c1(c(ccc(c1)/N=N/c1[nH]nnn1)O)C1=[O][Sm]234(O1)([O]=C(c1c(O)ccc(/N=N/c5[n-]nnn5)c1)O[Sm]1([O]=C(c5c(ccc(c5)/N=N/c5[nH]nnn5)O)O1)([O]=C(c1c(O)ccc(/N=N/c5[n-]nnn5)c1)O2)([OH2]3)([OH2]4)([OH2])([OH2])[OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O |
| Title of publication | Syntheses, structures and properties of 5-azotetrazolyl salicylic acid and its dilanthanide complexes. |
| Authors of publication | Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen; Sun, Ya-Qiu |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 24 |
| Pages of publication | 9090 - 9097 |
| a | 9.6865 ± 0.0012 Å |
| b | 11.7997 ± 0.0014 Å |
| c | 13.1112 ± 0.0016 Å |
| α | 111.997 ± 0.002° |
| β | 95.839 ± 0.002° |
| γ | 104.792 ± 0.002° |
| Cell volume | 1310.5 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0282 |
| Residual factor for significantly intense reflections | 0.0236 |
| Weighted residual factors for significantly intense reflections | 0.0667 |
| Weighted residual factors for all reflections included in the refinement | 0.0748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.194 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180014 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/08. |
7030856.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 {}' |
7030856.cif |
| 116244 | 2014-06-07 | cif/ Updating files of 7030851, 7030852, 7030853, 7030854, 7030855, 7030856, 7030857 Original log message: Adding full bibliography for 7030851--7030857.cif. |
7030856.cif |
| 113266 | 2014-05-09 | cif/ Adding structures of 7030851, 7030852, 7030853, 7030854, 7030855, 7030856, 7030857 via cif-deposit CGI script. |
7030856.cif |
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