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Information card for entry 7702313
Preview
Coordinates | 7702313.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H20 Cl6 N6 Na2 Ni2 O7 |
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Calculated formula | C30 H20 Cl6 N6 Na2 Ni2 O7 |
SMILES | [Ni]123([n]4c(cccc4Cl)O1)([n]1c(cccc1Cl)O2)[O](c1nc(ccc1)Cl)[Ni]12([n]4c(cccc4Cl)O1)([n]1c(cccc1Cl)O2)[O]3c1nc(ccc1)Cl.[Na+].O.[Na+] |
Title of publication | Heterobimetallic nickel‒sodium and cobalt‒sodium complexes of pyridonate ligands |
Authors of publication | Brechin, Euan K.; Gilby, Liam M.; Gould, Robert O.; Harris, Steven G.; Parsons, Simon; Winpenny, Richard E. P. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1998 |
Journal issue | 16 |
Pages of publication | 2657 |
a | 21.407 ± 0.006 Å |
b | 11.86 ± 0.003 Å |
c | 13.912 ± 0.002 Å |
α | 90° |
β | 91.04 ± 0.02° |
γ | 90° |
Cell volume | 3531.5 ± 1.4 Å3 |
Cell temperature | 220 ± 2 K |
Ambient diffraction temperature | 220 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1166 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for all reflections | 0.1091 |
Weighted residual factors for significantly intense reflections | 0.0881 |
Goodness-of-fit parameter for all reflections | 0.966 |
Goodness-of-fit parameter for significantly intense reflections | 1.115 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7702313.html
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