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Information card for entry 7036794
Preview
Coordinates | 7036794.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H25 F6 N5 O5 P Re |
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Calculated formula | C19 H25 F6 N5 O5 P Re |
SMILES | [Re]12(=C3N(CC[N]1(CC(=O)OCC)CCN1C=CN(C)C=21)C=CN3C)(C#[O])(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Rhenium complexes of bidentate, bis-bidentate and tridentate N-heterocyclic carbene ligands. |
Authors of publication | Chan, Chung Ying; Barnard, Peter J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 44 |
Pages of publication | 19126 - 19140 |
a | 9.7542 ± 0.0004 Å |
b | 18.0646 ± 0.0008 Å |
c | 13.71 ± 0.0006 Å |
α | 90° |
β | 96.253 ± 0.004° |
γ | 90° |
Cell volume | 2401.41 ± 0.18 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 7 |
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 | 0.0356 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.061 |
Weighted residual factors for all reflections included in the refinement | 0.0646 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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