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Information card for entry 4118537
Preview
Coordinates | 4118537.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H52 Cl2 F3 I P2 Pt |
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Calculated formula | C33 H52 Cl2 F3 I P2 Pt |
SMILES | [Pt]1(I)([P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)c1c(cc(cc1F)F)F.C(Cl)Cl |
Title of publication | Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites |
Authors of publication | Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 14027 - 14032 |
a | 16.286 ± 0.0003 Å |
b | 8.9776 ± 0.0002 Å |
c | 24.3315 ± 0.0007 Å |
α | 90° |
β | 94.1696 ± 0.0008° |
γ | 90° |
Cell volume | 3548.07 ± 0.14 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.056 |
Residual factor for significantly intense reflections | 0.046 |
Weighted residual factors for significantly intense reflections | 0.0872 |
Weighted residual factors for all reflections included in the refinement | 0.0905 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178956 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/85. |
4118537.cif |
76077 | 2013-03-15 | cif/ Adding structures of 4118537 via cif-deposit CGI script. |
4118537.cif |
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Users of the data should acknowledge the original authors of the
structural data.