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Information card for entry 4512216
Preview
| Coordinates | 4512216.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H22 Cu3 N6 O7 |
|---|---|
| Calculated formula | C23 H17 Cu3 N6 O7 |
| Title of publication | Designing Functional Metal‒Organic Frameworks by Imparting a Hexanuclear Copper-Based Secondary Building Unit Specific Properties: Structural Correlation With Magnetic and Photocatalytic Activity |
| Authors of publication | Bala, Sukhen; Bhattacharya, Sudeshna; Goswami, Arijit; Adhikary, Amit; Konar, Sanjit; Mondal, Raju |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 6391 |
| a | 10.4498 ± 0.0008 Å |
| b | 27.907 ± 0.002 Å |
| c | 13.7828 ± 0.0011 Å |
| α | 90° |
| β | 107.875 ± 0.002° |
| γ | 90° |
| Cell volume | 3825.4 ± 0.5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1515 |
| Residual factor for significantly intense reflections | 0.0843 |
| Weighted residual factors for significantly intense reflections | 0.2191 |
| Weighted residual factors for all reflections included in the refinement | 0.2406 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179669 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/22. |
4512216.cif |
| 131347 | 2015-02-07 | cif/ Updating files of 4512216, 4512217, 4512218 Original log message: Adding full bibliography for 4512216--4512218.cif. |
4512216.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 {}' |
4512216.cif |
| 126001 | 2014-10-30 | cif/ Adding structures of 4512216 via cif-deposit CGI script. |
4512216.cif |
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Users of the data should acknowledge the original authors of the
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