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Information card for entry 7016286
Preview
Coordinates | 7016286.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H29 Br N5 O4 Re |
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Calculated formula | C28 H29 Br N5 O4 Re |
SMILES | [Re]1(Br)([n]2n(ccc2C)c2cc(ccc2[NH]1c1c(n2nc(cc2)C)cc(cc1)C)C)(C#[O])(C#[O])C#[O].O=C(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 | 10.8094 ± 0.0002 Å |
b | 10.9596 ± 0.0002 Å |
c | 13.4496 ± 0.0002 Å |
α | 84.771 ± 0.001° |
β | 85.086 ± 0.001° |
γ | 60.919 ± 0.001° |
Cell volume | 1385.1 ± 0.04 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 | 0.0173 |
Residual factor for significantly intense reflections | 0.0172 |
Weighted residual factors for significantly intense reflections | 0.0446 |
Weighted residual factors for all reflections included in the refinement | 0.0447 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7016286.html
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