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Information card for entry 4319877
Preview
Coordinates | 4319877.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H18 B F15 I O Re |
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Calculated formula | C33 H18 B F15 I O Re |
SMILES | [Re]123(I)(O[B](c4c(F)c(F)c(F)c(F)c4F)(c4c(F)c(F)c(F)c(F)c4F)c4c(F)c(F)c(F)c(F)c4F)[C](#[C]1CCC[C]2#[C]3C)C.c1ccccc1 |
Title of publication | Rhenium Oxo Complexes of a Chelating Diyne Ligand. Synthesis and Study of the Kinetics of Protonation |
Authors of publication | Yi Han; C. Jeff Harlan; Philipp Stoessel; Brian J. Frost; Jack R. Norton; Susie Miller; Brian Bridgewater; Qiang Xu |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 2942 - 2952 |
a | 10.6281 ± 0.0006 Å |
b | 10.6867 ± 0.0006 Å |
c | 29.8237 ± 0.0015 Å |
α | 90° |
β | 95.789 ± 0.001° |
γ | 90° |
Cell volume | 3370.1 ± 0.3 Å3 |
Cell temperature | 228 ± 2 K |
Ambient diffraction temperature | 228 ± 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 | 0.0798 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0614 |
Weighted residual factors for all reflections included in the refinement | 0.0684 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
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/4319877.html
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