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Information card for entry 4327231
Preview
| Coordinates | 4327231.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H51 Cd2 N15 O12 |
|---|---|
| Calculated formula | C49 H51 Cd2 N15 O12 |
| Title of publication | Molecular Tectonics of Mixed-Ligand Metal-Organic Frameworks: Positional Isomeric Effect, Metal-Directed Assembly, and Structural Diversification |
| Authors of publication | Miao Du; Xiu-Juan Jiang; Xiao-Jun Zhao |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 3984 - 3995 |
| a | 10.9814 ± 0.001 Å |
| b | 11.5837 ± 0.0011 Å |
| c | 22.24 ± 0.002 Å |
| α | 81.63 ± 0.001° |
| β | 84.578 ± 0.001° |
| γ | 72.513 ± 0.001° |
| Cell volume | 2665.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0534 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0753 |
| Weighted residual factors for all reflections included in the refinement | 0.0802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179375 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/72. |
4327231.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 {}' |
4327231.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4327231.cif |
| 60947 | 2012-06-20 | cif/ Adding structures of 4327231 via cif-deposit CGI script. |
4327231.cif |
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