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Information card for entry 1564092
Preview
Coordinates | 1564092.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C134 H124 B2 Co N6 O6 P6 |
---|---|
Calculated formula | C134 H124 B2 Co N6 O6 P6 |
SMILES | C1N2CP(=[O][Co]34([O]=P1(c1ccccc1)c1ccccc1)([O]=P(C2)(c1ccccc1)c1ccccc1)[O]=P(CN(CP(=[O]3)(c1ccccc1)c1ccccc1)CP(=[O]4)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(#N)C.C(#N)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(#N)C.C(#N)C |
Title of publication | Synthesis and crystallographic characterisation of a homologous series of bis-tridentate phosphine oxide NP3O3 Fe(II), Co(II), Ni(II) and Cu(II) complexes |
Authors of publication | Page, Samuel J.; Rogers-Simmonds, Daisy; White, Andrew J.P.; Miller, Philip W. |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2020 |
Journal volume | 512 |
Pages of publication | 119870 |
a | 13.45476 ± 0.00008 Å |
b | 20.00475 ± 0.00014 Å |
c | 21.70642 ± 0.00016 Å |
α | 90° |
β | 96.5856 ± 0.0006° |
γ | 90° |
Cell volume | 5803.93 ± 0.07 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
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 | 0.044 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for significantly intense reflections | 0.0851 |
Weighted residual factors for all reflections included in the refinement | 0.0901 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1564092.html
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