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Information card for entry 4068752
Preview
Coordinates | 4068752.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H50 B F4 O P3 Pt |
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Calculated formula | C49 H50 B F4 O P3 Pt |
SMILES | [Pt]12(C3CC[C@@]4(Oc5ccccc5C[C@H]4C=3C)C)[P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[Pt]12(C3CC[C@]4(Oc5ccccc5C[C@@H]4C=3C)C)[P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-] |
Title of publication | Platinum(II) Enyne Cycloisomerization Catalysis: Intermediates and Resting States. |
Authors of publication | Nelsen, D. Luke; Gagné, Michel R |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 4 |
Pages of publication | 950 - 952 |
a | 10.4824 ± 0.0008 Å |
b | 23.673 ± 0.002 Å |
c | 18.8784 ± 0.0016 Å |
α | 90° |
β | 104.35 ± 0.003° |
γ | 90° |
Cell volume | 4538.5 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.1923 |
Residual factor for significantly intense reflections | 0.1271 |
Weighted residual factors for significantly intense reflections | 0.2707 |
Weighted residual factors for all reflections included in the refinement | 0.2884 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
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/4068752.html
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Users of the data should acknowledge the original authors of the
structural data.