Crystallography Open Database

Information card for entry 1569290

Preview

Coordinates	1569290.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	XM487-2
Formula	C56 H50 Au2 N6
Calculated formula	C56 H50 Au2 N6
Title of publication	Novel dinuclear NHC–gold(i)-amido complexes and their application in energy transfer photocatalysis
Authors of publication	Ma, Xinyuan; Voloshkin, Vladislav A.; Martynova, Ekaterina A.; Beliš, Marek; Peng, Min; Villa, Marco; Tzouras, Nikolaos V.; Janssens, Wim; Van Hecke, Kristof; Ceroni, Paola; Nolan, Steven P.
Journal of publication	Catalysis Science & Technology
Year of publication	2023
Journal volume	13
Journal issue	14
Pages of publication	4168 - 4175
a	27.2565 ± 0.0003 Å
b	17.0998 ± 0.0002 Å
c	52.008 ± 0.0006 Å
α	90°
β	101.377 ± 0.001°
γ	90°
Cell volume	23763.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0842
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.1014
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
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
285461 (current)	2023-08-05	cif/ Updating files of 1569289, 1569290 Original log message: Adding full bibliography for 1569289--1569290.cif.	1569290.cif
284537	2023-06-29	cif/ Adding structures of 1569289, 1569290 via cif-deposit CGI script.	1569290.cif