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Information card for entry 7038014
Preview
Coordinates | 7038014.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H36 N6 Ni O8 |
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Calculated formula | C42 H36 N6 Ni O8 |
SMILES | CO.C1=[N]2c3cccc4c3[n]([Ni]352([N](=Cc2c(c(cc(c2)C(C)(C)C)N(=O)=O)O3)c2cccc3c2[n]5ccc3)Oc2c(cc(cc12)C(C)(C)C)N(=O)=O)ccc4.CO |
Title of publication | Preorganized tridentate analogues of mixed hydroxyoxime/carboxylate nickel extractants. |
Authors of publication | Roebuck, James W.; Turkington, Jennifer R.; Rogers, David M.; Bailey, Philip J.; Griffin, Violina; Fischmann, Adam J.; Nichol, Gary S.; Pelser, Max; Parsons, Simon; Tasker, Peter A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 9 |
Pages of publication | 3734 - 3742 |
a | 30.218 ± 0.0008 Å |
b | 9.8763 ± 0.0003 Å |
c | 13.5138 ± 0.0003 Å |
α | 90° |
β | 107.221 ± 0.002° |
γ | 90° |
Cell volume | 3852.28 ± 0.18 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
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 | 0.0457 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for all reflections | 0.0296 |
Weighted residual factors for significantly intense reflections | 0.027 |
Weighted residual factors for all reflections included in the refinement | 0.0261 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.8214 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7038014.html
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