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Information card for entry 7041175
Preview
Coordinates | 7041175.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H29 Co I2 N4 P |
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Calculated formula | C18 H29 Co I2 N4 P |
SMILES | I[Co]12(I)[P](Nc3[n]1c(n1[n]2c(cc1C)C)ccc3)(C(C)(C)C)C(C)(C)C |
Title of publication | Regio- and stereo-selective polymerization of 1,3-butadiene catalyzed by phosphorus-nitrogen PN(3)-pincer cobalt(ii) complexes. |
Authors of publication | Gong, Dirong; Zhang, Xuequan; Huang, Kuo-Wei |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 48 |
Pages of publication | 19399 - 19407 |
a | 16.0679 ± 0.0006 Å |
b | 8.9042 ± 0.0004 Å |
c | 17.2884 ± 0.0005 Å |
α | 90° |
β | 103.574 ± 0.003° |
γ | 90° |
Cell volume | 2404.39 ± 0.16 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 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 | 0.0559 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0768 |
Weighted residual factors for all reflections included in the refinement | 0.0879 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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