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Information card for entry 4104078
Preview
| Coordinates | 4104078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H113 N15 O19 Zn |
|---|---|
| Calculated formula | C24 H17 N O6 Zn |
| Title of publication | Post-Synthesis Alkoxide Formation Within Metal-Organic Framework Materials: A Strategy for Incorporating Highly Coordinatively Unsaturated Metal Ions |
| Authors of publication | Karen L. Mulfort; Omar K. Farha; Charlotte L. Stern; Amy A. Sarjeant; Joseph T. Hupp |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 3866 - 3868 |
| a | 11.3014 ± 0.0011 Å |
| b | 15.7553 ± 0.0013 Å |
| c | 15.7553 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2805.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 47 |
| Hermann-Mauguin space group symbol | P m m m |
| Hall space group symbol | -P 2 2 |
| Residual factor for all reflections | 0.1477 |
| Residual factor for significantly intense reflections | 0.1078 |
| Weighted residual factors for significantly intense reflections | 0.2575 |
| Weighted residual factors for all reflections included in the refinement | 0.2723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.793 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178786 (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 4/10/40. |
4104078.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 {}' |
4104078.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104078.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104078.cif |
| 28585 | 2011-10-29 | ../uploads/cif-deposit/cod/cif Adding structures of 4104078 via cif-deposit CGI script. |
4104078.cif |
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Users of the data should acknowledge the original authors of the
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