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Information card for entry 1514822
Preview
| Coordinates | 1514822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [(NO2)Ni(Medoen)Zn(Me3TACN)]ClO4 |
|---|---|
| Formula | C19 H37 Cl N8 Ni O8 Zn |
| Calculated formula | C19 H37 Cl N8 Ni O8 Zn |
| SMILES | [Zn]1234(O[N]5[Ni]67([N](O2)=C(C(=[N]6CC[N]7=C(C=5C)C)C)C)[N](=O)O3)[N]2(CC[N]1(CC[N]4(CC2)C)C)C.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Access to formally Ni(i) states in a heterobimetallic NiZn system |
| Authors of publication | Uyeda, Christopher; Peters, Jonas C. |
| Journal of publication | Chemical Science |
| Year of publication | 2013 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | 157 |
| a | 8.5274 ± 0.0004 Å |
| b | 12.4106 ± 0.0005 Å |
| c | 13.0776 ± 0.0005 Å |
| α | 98.754 ± 0.001° |
| β | 96.004 ± 0.001° |
| γ | 90.074 ± 0.002° |
| Cell volume | 1360.17 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0687 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.1084 |
| Weighted residual factors for all reflections included in the refinement | 0.1169 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1514822.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 {}' |
1514822.cif |
| 110274 | 2014-04-18 | cif/ Adding structures of 1514818, 1514819, 1514820, 1514821, 1514822, 1514823, 1514824, 1514825, 1514826 via cif-deposit CGI script. |
1514822.cif |
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Users of the data should acknowledge the original authors of the
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