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Information card for entry 7038010
Preview
Coordinates | 7038010.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H38 Br2 N2 Ni O4 |
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Calculated formula | C36 H38 Br2 N2 Ni O4 |
SMILES | c12c(cc(cc2Br)C(C)(C)C)C=[N]2[Ni]34([N](=Cc5c(c(Br)cc(c5)C(C)(C)C)O4)c4ccccc4[O]3C)(O1)[O](c1c2cccc1)C |
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 | 27.043 ± 0.0006 Å |
b | 7.37835 ± 0.00019 Å |
c | 16.6969 ± 0.0004 Å |
α | 90° |
β | 91.949 ± 0.002° |
γ | 90° |
Cell volume | 3329.65 ± 0.14 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 6 |
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 | 0.0374 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for all reflections | 0.0488 |
Weighted residual factors for significantly intense reflections | 0.0454 |
Weighted residual factors for all reflections included in the refinement | 0.0488 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9359 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7038010.html
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