Crystallography Open Database

Information card for entry 1573161

Preview

Coordinates	1573161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H78 F16 Ga2 N4
Calculated formula	C80 H78 F16 Ga2 N4
Title of publication	Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.
Authors of publication	Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	5
Pages of publication	2222 - 2230
a	19.4377 ± 0.0004 Å
b	19.6182 ± 0.0004 Å
c	19.7964 ± 0.0005 Å
α	90°
β	100.679 ± 0.002°
γ	90°
Cell volume	7418.3 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0728
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1232
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
298088 (current)	2025-03-04	cif/ Updating files of 1573160, 1573161, 1573162, 1573163, 1573164, 1573165, 1573166 Original log message: Adding full bibliography for 1573160--1573166.cif.	1573161.cif
295916	2024-11-15	cif/ Adding structures of 1573160, 1573161, 1573162, 1573163, 1573164, 1573165, 1573166 via cif-deposit CGI script.	1573161.cif