Crystallography Open Database

Information card for entry 7134888

Preview

Coordinates	7134888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H59 B Br4 Ga
Calculated formula	C35 H59 B Br4 Ga
Title of publication	1,2,4-Tri(<sup><i>t</i></sup>Bu)cyclopentadienyl gallium (Cp'''Ga) as a versatile reagent for the synthesis of Lewis adducts and ionic compounds.
Authors of publication	Ding, Yi; Tang, Yongheng; Nazish, Mohd; Ruth, Paul Niklas; Wachendorf, Sophia Luisa; Herbst-Irmer, Regine; Stalke, Dietmar; Roesky, Herbert W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	71
Pages of publication	13441 - 13444
a	16.896 ± 0.004 Å
b	13.081 ± 0.003 Å
c	35.577 ± 0.009 Å
α	90°
β	101.91 ± 0.02°
γ	90°
Cell volume	7694 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0605
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
302449 (current)	2025-10-06	cif/ Updating files of 7134886, 7134887, 7134888 Original log message: Adding full bibliography for 7134886--7134888.cif.	7134888.cif
301669	2025-08-07	cif/ Adding structures of 7134886, 7134887, 7134888 via cif-deposit CGI script.	7134888.cif