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Information card for entry 4340432
Preview
| Coordinates | 4340432.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H52 N4 Ni4 O12 |
|---|---|
| Calculated formula | C40 H52 N4 Ni4 O12 |
| SMILES | c12O[Ni]345([N](=Cc2cccc1)CC[O]13[Ni]236([N](=Cc7c(O2)cccc7)CC[O]23[Ni]37([N](=Cc8c(O3)cccc8)CC[O]467)([O]35CC[N]4[Ni]123(Oc1ccccc1C=4)[OH]C)[OH]C)[OH]C)[OH]C |
| Title of publication | Synthesis and spectroscopic characterization of a new family of Ni(4) spin clusters. |
| Authors of publication | Sieber, Andreas; Boskovic, Colette; Bircher, Roland; Waldmann, Oliver; Ochsenbein, Stefan T.; Chaboussant, Grégory; Güdel, Hans U; Kirchner, Nadeschda; van Slageren, Joris; Wernsdorfer, Wolfgang; Neels, Antonia; Stoeckli-Evans, Helen; Janssen, Stefan; Juranyi, Fanni; Mutka, Hannu |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 12 |
| Pages of publication | 4315 - 4325 |
| a | 13.1852 ± 0.0013 Å |
| b | 13.6138 ± 0.0013 Å |
| c | 14.2325 ± 0.0015 Å |
| α | 65.582 ± 0.011° |
| β | 75.087 ± 0.011° |
| γ | 70.346 ± 0.011° |
| Cell volume | 2169.8 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0655 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1077 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179507 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/04. |
4340432.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 {}' |
4340432.cif |
| 119846 | 2014-07-09 | cif/ Adding structures of 4340431, 4340432, 4340433 via cif-deposit CGI script. |
4340432.cif |
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Users of the data should acknowledge the original authors of the
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