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Information card for entry 4339300
Preview
| Coordinates | 4339300.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H59 Ge N2 O2 Y |
|---|---|
| Calculated formula | C43 H59 Ge N2 O2 Y |
| SMILES | [Y]12345678(O[Ge]9[N](=C(C)C=C(N9c9c(cccc9C(C)C)C(C)C)C)c9c(cccc9C(C)C)C(C)C)([cH]9[cH]1[cH]2[cH]3[cH]49)([cH]1[cH]5[cH]6[cH]7[cH]81)[O]1CCCC1 |
| Title of publication | Synthesis and structural characterization of monomeric heterobimetallic oxides with a GeII-O-M skeleton (M = Yb, Y). |
| Authors of publication | Yang, Ying; Roesky, Herbert W.; Jones, Peter G.; So, Cheuk-Wai; Zhang, Zhensheng; Herbst-Irmer, Regine; Ye, Hongqi |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 25 |
| Pages of publication | 10860 - 10863 |
| a | 8.8517 ± 0.0004 Å |
| b | 37.4086 ± 0.0016 Å |
| c | 12.0005 ± 0.0005 Å |
| α | 90.19 ± 0.003° |
| β | 98.071 ± 0.003° |
| γ | 90 ± 0.003° |
| Cell volume | 3934.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0716 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.1048 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.198 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179496 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/93. |
4339300.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 {}' |
4339300.cif |
| 117260 | 2014-06-14 | cif/ Adding structures of 4339299, 4339300 via cif-deposit CGI script. |
4339300.cif |
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Users of the data should acknowledge the original authors of the
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