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Information card for entry 7225985
Preview
Coordinates | 7225985.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H62 Cl8 Co N6 Ni O |
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Calculated formula | C51 H62 Cl8 Co N6 Ni O |
SMILES | CC1c2cccc3C4(CC5c6cccc7C(C)=[N](c8c(cccc8C(C)C)C(C)C)[Co](Cl)(Cl)([N]=5c5c(cccc5)N4[Ni](Cl)(Cl)([N]=1c1c(cccc1C(C)C)C(C)C)([n]23)OC)[n]67)C.C(Cl)Cl.C(Cl)Cl |
Title of publication | Frustratingly synergic effect of cobalt-nickel heterometallic precatalysts on ethylene reactivity: The cobalt and its heteronickel complexes bearing 2-methyl-2,4-bis(6-iminopyridin-2-yl)-1H-1,5-benzodiazepines |
Authors of publication | Zhang, Shu; Xing, Qifeng; Sun, Wen Hua |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
a | 11.0804 ± 0.0012 Å |
b | 16.393 ± 0.002 Å |
c | 16.352 ± 0.002 Å |
α | 104.069 ± 0.003° |
β | 96.006 ± 0.003° |
γ | 94.145 ± 0.002° |
Cell volume | 2850.5 ± 0.6 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0521 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.152 |
Weighted residual factors for all reflections included in the refinement | 0.1549 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/7225985.html
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