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Information card for entry 4064212
Preview
Coordinates | 4064212.cif |
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Original paper (by DOI) | HTML |
Formula | C46 H54 N4 Ni O2 |
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Calculated formula | C46 H54 N4 Ni O2 |
SMILES | c12c(cc(cc1N1C=CN(C1=[Ni]1(O2)Oc2c(cc(cc2N2C=CN(C=12)c1ccccc1)C(C)(C)C)C(C)(C)C)c1ccccc1)C(C)(C)C)C(C)(C)C |
Title of publication | Synthesis, Structures, and Norbornene Polymerization Behavior of Bis(aryloxide-N-heterocyclic carbene) Nickel Complexes |
Authors of publication | Kong, Yong; Cheng, Man; Ren, Hongping; Xu, Shansheng; Song, Haibin; Yang, Min; Liu, Binyuan; Wang, Baiquan |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 6 |
Pages of publication | 1677 |
a | 19.108 ± 0.004 Å |
b | 17.873 ± 0.004 Å |
c | 12.576 ± 0.003 Å |
α | 90° |
β | 108.4 ± 0.03° |
γ | 90° |
Cell volume | 4075.3 ± 1.7 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0628 |
Residual factor for significantly intense reflections | 0.0512 |
Weighted residual factors for significantly intense reflections | 0.1236 |
Weighted residual factors for all reflections included in the refinement | 0.1308 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
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/4064212.html
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