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Information card for entry 7126870
Preview
Coordinates | 7126870.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Co(Me3-TPADP)(N3)(OOC(CH3)3)](ClO4) |
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Formula | C18 H33 Cl Co N7 O6 |
Calculated formula | C18 H33 Cl Co N7 O6 |
SMILES | [Co]123([n]4c5C[N]1(C)CC[N]2(C)CC[N]3(C)Cc4ccc5)(OOC(C)(C)C)N=N#N.Cl(=O)(=O)(=O)[O-] |
Title of publication | Nucleophilic reactivity of a mononuclear cobalt(iii)-bis(tert-butylperoxo) complex. |
Authors of publication | Shin, Bongki; Park, Younwoo; Jeong, Donghyun; Cho, Jaeheung |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2020 |
Journal volume | 56 |
Journal issue | 66 |
Pages of publication | 9449 - 9452 |
a | 17.659 ± 0.011 Å |
b | 11.39 ± 0.008 Å |
c | 12.836 ± 0.008 Å |
α | 90° |
β | 115.338 ± 0.016° |
γ | 90° |
Cell volume | 2333 ± 3 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0449 |
Residual factor for significantly intense reflections | 0.0353 |
Weighted residual factors for significantly intense reflections | 0.0993 |
Weighted residual factors for all reflections included in the refinement | 0.109 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.844 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKa |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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