Crystallography Open Database

Information card for entry 1570863

Preview

Coordinates	1570863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C241.5 H301.5 Au12 Cl51 N40
Calculated formula	C216 H276 Au12 N40
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	27.6564 ± 0.0002 Å
b	27.7466 ± 0.0003 Å
c	28.2657 ± 0.0003 Å
α	112.451 ± 0.001°
β	94.9615 ± 0.0008°
γ	119.208 ± 0.001°
Cell volume	16466.2 ± 0.4 Å³
Cell temperature	229.99 ± 0.1 K
Ambient diffraction temperature	229.99 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1956
Weighted residual factors for all reflections included in the refinement	0.205
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1570863.cif
289261	2024-02-02	cif/ Adding structures of 1570859, 1570860, 1570861, 1570862, 1570863, 1570864, 1570865 via cif-deposit CGI script.	1570863.cif