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Information card for entry 4327718
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Coordinates | 4327718.cif |
---|
Formula | C60 H56 N14 Ni3 O12 |
---|---|
Calculated formula | C60 H56 N14 Ni3 O12 |
SMILES | c1cccc2C=[N]3[Ni]4567[O](c12)[Ni]12([n]8c([N]2=Cc2c([O]41)cccc2)cccc8)([n]1c(N)cccc1)[n]1c(cccc1)[N]6=Cc1c(cccc1)[O]7[Ni]12([n]4c3cccc4)([n]3c([N]1=Cc1c([O]52)cccc1)cccc3)[n]1c(N)cccc1.N(=O)(=O)[O-].OC.N(=O)(=O)[O-].OC |
Title of publication | Trinuclear and mononuclear nickel(II) complexes incorporating tridentate 2-[(pyridine-2-ylimine)methyl]phenol ligand: Syntheses, crystal structures and magnetic properties |
Authors of publication | Ran, J-W; Zhang, S-Y; Hu, B; Xu, B; Li, Y |
Journal of publication | Inorganic Chemistry Communications |
Year of publication | 2008 |
Journal volume | 11 |
Pages of publication | 1464 - 1477 |
a | 11.018 ± 0.005 Å |
b | 15.752 ± 0.007 Å |
c | 16.814 ± 0.007 Å |
α | 90° |
β | 97.406 ± 0.006° |
γ | 90° |
Cell volume | 2894 ± 2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1259 |
Residual factor for significantly intense reflections | 0.0522 |
Weighted residual factors for significantly intense reflections | 0.1148 |
Weighted residual factors for all reflections included in the refinement | 0.166 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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