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Information card for entry 7016363
Preview
Coordinates | 7016363.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H37 Cl N4 Ni |
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Calculated formula | C40 H37 Cl N4 Ni |
SMILES | [Ni]12(c3c(C4=[N]1[C@H](CN4c1ccc(cc1)C)Cc1ccccc1)cccc3C1=[N]2[C@H](CN1c1ccc(cc1)C)Cc1ccccc1)Cl |
Title of publication | Neutral and cationic chiral NCN pincer nickel(ii) complexes with 1,3-bis(2'-imidazolinyl)benzenes: synthesis and characterization. |
Authors of publication | Shao, Dan-Dan; Niu, Jun-Long; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 35 |
Pages of publication | 9012 - 9019 |
a | 6.5204 ± 0.0013 Å |
b | 22.603 ± 0.005 Å |
c | 11.813 ± 0.002 Å |
α | 90° |
β | 95.4 ± 0.03° |
γ | 90° |
Cell volume | 1733.3 ± 0.6 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 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 | 0.054 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.1066 |
Weighted residual factors for all reflections included in the refinement | 0.1183 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7016363.html
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