Crystallography Open Database

Information card for entry 7705138

Preview

Coordinates	7705138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H22 Au P S
Calculated formula	C27 H22 Au P S
SMILES	[Au](C#CCSc1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Heterobimetallic propargyl gold complexes with π-bound copper or silver with enhanced anticancer activity.
Authors of publication	Johnson, Alice; Marzo, Isabel; Gimeno, M Concepción
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	33
Pages of publication	11736 - 11742
a	8.9759 ± 0.0007 Å
b	16.5724 ± 0.0012 Å
c	15.6715 ± 0.0012 Å
α	90°
β	102.759 ± 0.001°
γ	90°
Cell volume	2273.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0248
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
256083 (current)	2020-09-06	cif/ Updating files of 7705135, 7705136, 7705137, 7705138, 7705139, 7705140, 7705141 Original log message: Adding full bibliography for 7705135--7705141.cif.	7705138.cif
255284	2020-08-13	cif/ Adding structures of 7705135, 7705136, 7705137, 7705138, 7705139, 7705140, 7705141 via cif-deposit CGI script.	7705138.cif