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Information card for entry 4115149
Preview
Coordinates | 4115149.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H35 B F4 N3 O P2 Re S2 |
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Calculated formula | C31 H34 B F4 N3 O P2 Re S2 |
SMILES | [Re]12(SC(SC)=N(=N2)C)([P](CCOCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)#N.[B](F)(F)(F)[F-] |
Title of publication | Chemistry of the Strong Electrophilic Metal Fragment [99Tc(N)(PXP)]2+ (PXP = Diphosphine Ligand). A Novel Tool for the Selective Labeling of Small Molecules |
Authors of publication | Cristina Bolzati; Alessandra Boschi; Licia Uccelli; Francesco Tisato; Fiorenzo Refosco; Aldo Cagnolini; Adriano Duatti; Sushumna Prakash; Giuliano Bandoli; Andrea Vittadini |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 11468 - 11479 |
a | 15.065 ± 0.003 Å |
b | 14.705 ± 0.003 Å |
c | 16.318 ± 0.003 Å |
α | 90° |
β | 108.31 ± 0.03° |
γ | 90° |
Cell volume | 3431.9 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 9 |
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 | 0.0791 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.1578 |
Weighted residual factors for all reflections included in the refinement | 0.1789 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
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/4115149.html
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structural data.