Crystallography Open Database

Information card for entry 7132736

Preview

Coordinates	7132736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H26 P2 S
Calculated formula	C31 H26 P2 S
SMILES	P(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(=S)(c1ccccc1)c1ccccc1
Title of publication	From a mercury(II) bis(yldiide) complex to actinide yldiides.
Authors of publication	Jörges, Mike; Gremillion, Alexander J.; Knyszek, Daniel; Kelley, Steven P.; Walensky, Justin R.; Gessner, Viktoria H.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	23
Pages of publication	3190 - 3193
a	9.72967 ± 0.00004 Å
b	15.22975 ± 0.00006 Å
c	16.93649 ± 0.00008 Å
α	90°
β	91.2641 ± 0.0004°
γ	90°
Cell volume	2509.05 ± 0.019 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0312
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290825 (current)	2024-04-05	cif/ Updating files of 7132735, 7132736, 7132737, 7132738, 7132739 Original log message: Adding full bibliography for 7132735--7132739.cif.	7132736.cif
289883	2024-02-21	cif/ Adding structures of 7132735, 7132736, 7132737, 7132738, 7132739 via cif-deposit CGI script.	7132736.cif