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Information card for entry 4302465
Preview
| Coordinates | 4302465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H50 N4 Ni3 O10 |
|---|---|
| Calculated formula | C50 H50 N4 Ni3 O10 |
| SMILES | c12ccccc1C=[N]1CCC[NH](C)[Ni]3451[O]=C(c1ccccc1)[O]5[Ni]15([O]24)([O]=C(c2ccccc2)O[Ni]246([O]=C(c7ccccc7)[O]14)[N](=Cc1c(cccc1)[O]56)CCC[NH]2C)[O]=C(c1ccccc1)O3 |
| Title of publication | The Crucial Role of Polyatomic Anions in Molecular Architecture: Structural And Magnetic Versatility of Five Nickel(II) Complexes Derived from A N,N,O-Donor Schiff Base Ligand |
| Authors of publication | Pampa Mukherjee; Michael G. B. Drew; Carlos J. Gómez-García; Ashutosh Ghosh |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 5848 - 5860 |
| a | 14.1337 ± 0.0006 Å |
| b | 23.2885 ± 0.001 Å |
| c | 14.0731 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4632.2 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b n a |
| Hall space group symbol | -P 2ac 2b |
| Residual factor for all reflections | 0.1666 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1407 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179062 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/24. |
4302465.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4302465.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4302465.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4302465.cif |
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