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Information card for entry 7110946
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| Coordinates | 7110946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H17 N7 O13.5 Sm |
|---|---|
| Calculated formula | C20 H16 N7 O13.5 Sm |
| Title of publication | Lanthanide co-ordination frameworks of 4,4′-bipyridine-N,N′-dioxide |
| Authors of publication | Long, De-Liang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin |
| Journal of publication | Chemical Communications |
| Year of publication | 2000 |
| Journal issue | 15 |
| Pages of publication | 1369 |
| a | 16.529 ± 0.004 Å |
| b | 17.616 ± 0.005 Å |
| c | 17.244 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5021 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0438 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0686 |
| Weighted residual factors for all reflections included in the refinement | 0.0772 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7110946.cif |
| 180223 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/09. |
7110946.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7110946.cif |
| 96068 | 2014-01-28 | cif/ Adding structures of 7110946, 7110947 via cif-deposit CGI script. |
7110946.cif |
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Users of the data should acknowledge the original authors of the
structural data.