Crystallography Open Database

Information card for entry 7132739

Preview

Coordinates	7132739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H63 Cl P2 S Th
Calculated formula	C58 H63 Cl P2 S Th
SMILES	C1([Th]23456789(Cl)([S]=P1(c1ccccc1)c1ccccc1)([c]1([c]2([c]3([c]4([c]19C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C)=P(c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)C
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	12.1389 ± 0.0003 Å
b	14.1799 ± 0.0004 Å
c	14.3984 ± 0.0004 Å
α	94.193 ± 0.001°
β	90.436 ± 0.001°
γ	93.016 ± 0.001°
Cell volume	2468.15 ± 0.12 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0239
Residual factor for significantly intense reflections	0.0193
Weighted residual factors for significantly intense reflections	0.0393
Weighted residual factors for all reflections included in the refinement	0.0414
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7132739.cif
289883	2024-02-21	cif/ Adding structures of 7132735, 7132736, 7132737, 7132738, 7132739 via cif-deposit CGI script.	7132739.cif