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Information card for entry 7024645
Preview
| Coordinates | 7024645.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H46 N4 Ni3 O14 |
|---|---|
| Calculated formula | C46 H46 N4 Ni3 O14 |
| Title of publication | Resin-assisted solvothermal synthesis of transition metal-organic frameworks. |
| Authors of publication | Du, Yi; Thompson, Amber L.; Russell, Nicola; O'Hare, Dermot |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 14 |
| Pages of publication | 3384 - 3395 |
| a | 11.385 ± 0.0002 Å |
| b | 19.125 ± 0.0005 Å |
| c | 11.606 ± 0.0003 Å |
| α | 90° |
| β | 115.684 ± 0.0011° |
| γ | 90° |
| Cell volume | 2277.39 ± 0.1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0808 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for all reflections | 0.0912 |
| Weighted residual factors for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179951 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/46. |
7024645.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 {}' |
7024645.cif |
| 92610 | 2014-01-12 | cif/ Adding structures of 7024637, 7024638, 7024639, 7024640, 7024641, 7024642, 7024643, 7024644, 7024645, 7024646, 7024647, 7024648 via cif-deposit CGI script. |
7024645.cif |
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Users of the data should acknowledge the original authors of the
structural data.