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Information card for entry 4121687
Preview
Coordinates | 4121687.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H49 F N4 Ni O |
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Calculated formula | C33 H49 F N4 Ni O |
SMILES | [Ni]1([n]2c3cccc2CN(Cc2[n]1c(ccc2)CN(C3)C(C)(C)C)C(C)(C)C)(C)c1ccc(F)cc1.O(CC)CC |
Title of publication | Organometallic Nickel(III) Complexes Relevant to Cross-Coupling and Carbon-Heteroatom Bond Formation Reactions. |
Authors of publication | Zheng, Bo; Tang, Fengzhi; Luo, Jia; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 17 |
Pages of publication | 6499 - 6504 |
a | 12.544 ± 0.0005 Å |
b | 19.6426 ± 0.0007 Å |
c | 13.4083 ± 0.0005 Å |
α | 90° |
β | 100.395 ± 0.002° |
γ | 90° |
Cell volume | 3249.5 ± 0.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 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 all reflections | 0.1107 |
Residual factor for significantly intense reflections | 0.085 |
Weighted residual factors for significantly intense reflections | 0.2411 |
Weighted residual factors for all reflections included in the refinement | 0.2575 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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