Crystallography Open Database

Information card for entry 8104703

Preview

Coordinates	8104703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H38 Au N O P2 S2
Calculated formula	C41 H38 Au N O P2 S2
SMILES	[Au]1([S]=C(S1)N1CCOCC1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Crystal structure of (morpholine-1-carbodithioato-κ2-S,S′)bis(triphenylphosphine-κ-P)gold(I), C41H38AuNOP2S2
Authors of publication	Yusuf, Tunde L.; Pillay, Michael N.; Zamisa, Sizwe J.; van Zyl, Werner E.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	4
Pages of publication	759 - 761
a	10.0821 ± 0.0002 Å
b	12.9409 ± 0.0002 Å
c	14.7183 ± 0.0003 Å
α	76.207 ± 0.001°
β	80.444 ± 0.001°
γ	75.592 ± 0.001°
Cell volume	1794.63 ± 0.06 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0187
Residual factor for significantly intense reflections	0.017
Weighted residual factors for significantly intense reflections	0.0399
Weighted residual factors for all reflections included in the refinement	0.0407
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
273564 (current)	2022-03-09	cif/ Adding structures of 8104703 via cif-deposit CGI script.	8104703.cif