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Information card for entry 7241439
Preview
Coordinates | 7241439.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H16 Au Cl5 F13 P |
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Calculated formula | C37 H16 Au Cl5 F13 P |
SMILES | [Au](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(c(F)c(F)c(F)c1c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.ClC(Cl)Cl |
Title of publication | Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane |
Authors of publication | Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I. |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
a | 10.384 ± 0.0004 Å |
b | 15.1675 ± 0.0006 Å |
c | 24.3914 ± 0.001 Å |
α | 90° |
β | 96.95 ± 0.004° |
γ | 90° |
Cell volume | 3813.4 ± 0.3 Å3 |
Cell temperature | 200.1 ± 0.3 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0474 |
Residual factor for significantly intense reflections | 0.0355 |
Weighted residual factors for significantly intense reflections | 0.0694 |
Weighted residual factors for all reflections included in the refinement | 0.0733 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/7241439.html
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