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Information card for entry 4088792
Preview
Coordinates | 4088792.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C61 H79 Cl N4 Ni2 O |
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Calculated formula | C61 H79 Cl N4 Ni2 O |
SMILES | [Ni]12([Ni]([Cl]1)([c]12ccc(OC)cc1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
Title of publication | Dinuclear Systems in the Efficient Nickel-Catalyzed Kumada‒Tamao‒Corriu Cross-Coupling of Aryl Halides |
Authors of publication | Matsubara, Kouki; Yamamoto, Hitomi; Miyazaki, Satoshi; Inatomi, Takahiro; Nonaka, Keita; Koga, Yuji; Yamada, Yuji; Veiros, Luis F.; Kirchner, Karl |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 36 |
Journal issue | 2 |
Pages of publication | 255 |
a | 14.4923 ± 0.0009 Å |
b | 12.2789 ± 0.0007 Å |
c | 31.858 ± 0.003 Å |
α | 90° |
β | 99.114 ± 0.004° |
γ | 90° |
Cell volume | 5597.5 ± 0.7 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.0626 |
Weighted residual factors for all reflections included in the refinement | 0.1378 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.191 |
Diffraction radiation wavelength | 0.71075 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/4088792.html
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