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Information card for entry 4503577
Preview
| Coordinates | 4503577.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H28 K5 N6 Ni2 O24.5 |
|---|---|
| Calculated formula | C15 H3 K5 N6 Ni2 O24.5 |
| Title of publication | Cubic Metal−Organic Polyhedrons of Nickel(II) Imidazoledicarboxylate Depositing Protons or Alkali Metal Ions |
| Authors of publication | Xu, Qiang; Zou, Ru-Qiang; Zhong, Rui-Qin; Kachi-Terajima, Chihiro; Takamizawa, Satoshi |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 7 |
| Pages of publication | 2458 |
| a | 26.673 ± 0.002 Å |
| b | 17.1947 ± 0.0014 Å |
| c | 17.6133 ± 0.0015 Å |
| α | 90° |
| β | 113.291 ± 0.001° |
| γ | 90° |
| Cell volume | 7419.8 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.1184 |
| Residual factor for significantly intense reflections | 0.0905 |
| Weighted residual factors for significantly intense reflections | 0.2437 |
| Weighted residual factors for all reflections included in the refinement | 0.2696 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4503577.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 {}' |
4503577.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503577.cif |
| 41642 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503575, 4503576, 4503577, 4503578 via cif-deposit CGI script. |
4503577.cif |
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Users of the data should acknowledge the original authors of the
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