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Information card for entry 1570524
Preview
Coordinates | 1570524.cif |
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Original paper (by DOI) | HTML |
Formula | C45 H40 N Ni O P |
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Calculated formula | C45 H40 N Ni O P |
SMILES | [Ni]1([N](=Cc2ccc3ccccc3c2O1)c1c(cc(cc1C)C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1C |
Title of publication | Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(ii) complexes |
Authors of publication | Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Chikkali, Samir H. |
Journal of publication | Polymer Chemistry |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 4 |
Pages of publication | 292 - 302 |
a | 9.3181 ± 0.0012 Å |
b | 10.1498 ± 0.0012 Å |
c | 19.648 ± 0.002 Å |
α | 103.844 ± 0.004° |
β | 97.992 ± 0.005° |
γ | 92.327 ± 0.004° |
Cell volume | 1781.5 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0586 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.0888 |
Weighted residual factors for all reflections included in the refinement | 0.0979 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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