Crystallography Open Database

Information card for entry 1570860

Preview

Coordinates	1570860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.25 H59.5 Au3 Cl2.5 N6 O3
Calculated formula	C48 H57 Au3 N6 O3
Title of publication	Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.
Authors of publication	Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	10
Pages of publication	3539 - 3544
a	8.3005 ± 0.0006 Å
b	17.0876 ± 0.001 Å
c	19.6636 ± 0.0009 Å
α	68.3 ± 0.005°
β	87.8 ± 0.005°
γ	82.613 ± 0.005°
Cell volume	2569.7 ± 0.3 Å³
Cell temperature	229.99 ± 0.1 K
Ambient diffraction temperature	229.99 ± 0.1 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	0.1083
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1546
Weighted residual factors for all reflections included in the refinement	0.1994
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
290842 (current)	2024-04-05	cif/ Updating files of 1570859, 1570860, 1570861, 1570862, 1570863, 1570864, 1570865 Original log message: Adding full bibliography for 1570859--1570865.cif.	1570860.cif
289261	2024-02-02	cif/ Adding structures of 1570859, 1570860, 1570861, 1570862, 1570863, 1570864, 1570865 via cif-deposit CGI script.	1570860.cif