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Information card for entry 1514820
Preview
Coordinates | 1514820.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Ni(Medopn)Zn(Me3TACN)(MeCN)](ClO4)2 |
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Formula | C22 H42 Cl2 N8 Ni O10 Zn |
Calculated formula | C22 H42 Cl2 N8 Ni O10 Zn |
SMILES | [Zn]123(O[N]4[Ni]56[N](=C(C(=[N]5O1)C)C)CCC[N]6=C(C=4C)C)([N]1(CC[N]2(CC[N]3(CC1)C)C)C)[N]#CC.Cl(=O)(=O)(=O)[O-].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 | 11.5533 ± 0.0005 Å |
b | 22.0368 ± 0.0008 Å |
c | 12.9726 ± 0.0005 Å |
α | 90° |
β | 104.81 ± 0.002° |
γ | 90° |
Cell volume | 3193.1 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.09 |
Residual factor for significantly intense reflections | 0.0686 |
Weighted residual factors for significantly intense reflections | 0.1802 |
Weighted residual factors for all reflections included in the refinement | 0.1924 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
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. |
1514820.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 {}' |
1514820.cif |
110274 | 2014-04-18 | cif/ Adding structures of 1514818, 1514819, 1514820, 1514821, 1514822, 1514823, 1514824, 1514825, 1514826 via cif-deposit CGI script. |
1514820.cif |
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Users of the data should acknowledge the original authors of the
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