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Information card for entry 4079538
Preview
Coordinates | 4079538.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H48 Cl Co N4 |
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Calculated formula | C42 H48 Cl Co N4 |
SMILES | [Co](Cl)(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C |
Title of publication | Intramolecular C(sp3)‒H Bond Activation Reactions of Low-Valent Cobalt Complexes with Coordination Unsaturation |
Authors of publication | Mo, Zhenbo; Chen, Dake; Leng, Xuebin; Deng, Liang |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 20 |
Pages of publication | 7040 |
a | 10.737 ± 0.0008 Å |
b | 13.1719 ± 0.0009 Å |
c | 14.168 ± 0.001 Å |
α | 90° |
β | 102.222 ± 0.002° |
γ | 90° |
Cell volume | 1958.3 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.113 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.0961 |
Weighted residual factors for all reflections included in the refinement | 0.1249 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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