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Information card for entry 7016285
Preview
Coordinates | 7016285.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H23 N5 |
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Calculated formula | C22 H23 N5 |
SMILES | n1n(ccc1C)c1cc(ccc1Nc1c(n2nc(cc2)C)cc(cc1)C)C |
Title of publication | Using sterics to promote reactivity in fac-Re(CO)(3) complexes of some 'non-innocent' NNN-pincer ligands. |
Authors of publication | Wanniarachchi, Sarath; Liddle, Brendan J.; Toussaint, John; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 35 |
Pages of publication | 8776 - 8787 |
a | 14.698 ± 0.0003 Å |
b | 7.7505 ± 0.0002 Å |
c | 33.6382 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3831.96 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0432 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for significantly intense reflections | 0.0988 |
Weighted residual factors for all reflections included in the refinement | 0.1024 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7016285.html
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Users of the data should acknowledge the original authors of the
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