Crystallography Open Database

Information card for entry 7708647

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Coordinates	7708647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H42 Au Cl P2 S2
Calculated formula	C39 H42 Au Cl P2 S2
SMILES	[Au](Cl)[P](SP(=S)(c1ccccc1)c1ccccc1)(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C(C)C
Title of publication	On the Reaction of Potassium Phosphide KP(iPr)Ter with Chalcogenes, Heteroallenes and Acyl Chloride
Authors of publication	Schulz, Axel; Szych, Lilian; Pilopp, Yannic; Bresien, Jonas; Villinger, Alexander; Lüdtke, Karsten Paul
Journal of publication	Dalton Transactions
Year of publication	2021
a	17.7686 ± 0.0006 Å
b	10.5284 ± 0.0003 Å
c	19.2875 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3608.21 ± 0.19 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.044
Weighted residual factors for all reflections included in the refinement	0.0467
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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