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Information card for entry 4103664
Preview
| Coordinates | 4103664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H48 Mo6 O30 |
|---|---|
| Calculated formula | C96 H48 Mo6 O30 |
| SMILES | [Mo]1234([Mo]567([O]=C(O1)c1cccc(c1)C#Cc1cccc(c1)C1=[O][Mo]89%10([Mo]%11(O1)([O]=C(O8)c1cccc(C#Cc8cccc(C(=[O]2)O5)c8)c1)([O]=C(O9)c1cccc(C#Cc2cccc(C5=[O][Mo]89%12([Mo]([O]=C(O8)c8cccc(C#Cc%13cccc(C(=[O]3)O6)c%13)c8)(OC(=[O]9)c3cccc(C#Cc6cccc(C(O4)=[O]7)c6)c3)(O5)([O]=C(O%12)c3cccc(c3)C#Cc3cccc(c3)C(O%10)=[O]%11)[OH2])[OH2])c2)c1)[OH2])[OH2])[OH2])[OH2] |
| Title of publication | Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers |
| Authors of publication | Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 17599 - 17610 |
| a | 11.62 ± 0.007 Å |
| b | 26.165 ± 0.016 Å |
| c | 52.45 ± 0.03 Å |
| α | 90° |
| β | 93.314 ± 0.008° |
| γ | 90° |
| Cell volume | 15920 ± 16 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1359 |
| Residual factor for significantly intense reflections | 0.0998 |
| Weighted residual factors for significantly intense reflections | 0.2103 |
| Weighted residual factors for all reflections included in the refinement | 0.221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178782 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/36. |
4103664.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 {}' |
4103664.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103664.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103664.cif |
| 26697 | 2011-09-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4103664 via cif-deposit CGI script. |
4103664.cif |
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Users of the data should acknowledge the original authors of the
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