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Information card for entry 7704437
Preview
Coordinates | 7704437.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [(TERPY)NiTbutyl-diketonate]ClO4 |
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Formula | C26 H32 Cl N3 Ni O7 |
Calculated formula | C26 H32 Cl N3 Ni O7 |
SMILES | [Ni]123(OC(=CC(=[O]1)C(C)(C)C)C(C)(C)C)([OH2])[n]1c(cccc1c1[n]2cccc1)c1[n]3cccc1.Cl(=O)(=O)(=O)[O-] |
Title of publication | N<sub>3</sub>-Ligated nickel(ii) diketonate complexes: synthesis, characterization and evaluation of O<sub>2</sub> reactivity. |
Authors of publication | Elsberg, Josiah G. D.; Peterson, Austin; Fuller, Amy L.; Berreau, Lisa M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 22 |
Pages of publication | 7564 - 7575 |
a | 9.9556 ± 0.0002 Å |
b | 11.6346 ± 0.0004 Å |
c | 14.2457 ± 0.0004 Å |
α | 110.337 ± 0.003° |
β | 91.439 ± 0.002° |
γ | 113.304 ± 0.003° |
Cell volume | 1395.43 ± 0.09 Å3 |
Cell temperature | 102 ± 3 K |
Ambient diffraction temperature | 102 ± 3 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0434 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0774 |
Weighted residual factors for all reflections included in the refinement | 0.0812 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation probe | x-ray |
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/7704437.html
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