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Information card for entry 4087179
Preview
Coordinates | 4087179.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H72 B Li Ni O8 P2 |
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Calculated formula | C56 H72 B Li Ni O8 P2 |
SMILES | [B](c1ccc2c(c1)[P](C(C)C)(C(C)C)[Ni](C#[O])(C#[O])[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C[O]1CC[O](C)[Li]231([O](C)CC[O]2C)[O](C)CC[O]3C |
Title of publication | Zwitterionic Nickel(II) Catalysts for CO‒Ethylene Alternating Copolymerization |
Authors of publication | Jia, Xiaofei; Zhang, Mengru; Li, Maohua; Pan, Fan; Ding, Kuiling; Jia, Li; Crandall, Laura A.; Engle, James T.; Ziegler, Christopher J. |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 6 |
Pages of publication | 1122 |
a | 9.7868 ± 0.0003 Å |
b | 32.1401 ± 0.0008 Å |
c | 18.1648 ± 0.0006 Å |
α | 90° |
β | 104.664 ± 0.001° |
γ | 90° |
Cell volume | 5527.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.036 |
Residual factor for significantly intense reflections | 0.0316 |
Weighted residual factors for significantly intense reflections | 0.0704 |
Weighted residual factors for all reflections included in the refinement | 0.0726 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/4087179.html
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Users of the data should acknowledge the original authors of the
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