Crystallography Open Database

Information card for entry 1571049

Preview

Coordinates	1571049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H86 Li N O8 Si2
Calculated formula	C40 H86 Li N O8 Si2
Title of publication	s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?
Authors of publication	Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	12
Pages of publication	4386 - 4395
a	20.1279 ± 0.0003 Å
b	26.8869 ± 0.0004 Å
c	17.1171 ± 0.0003 Å
α	90°
β	90.741 ± 0.002°
γ	90°
Cell volume	9262.6 ± 0.3 Å³
Cell temperature	100 ± 0.4 K
Ambient diffraction temperature	100 ± 0.4 K
Number of distinct elements	6
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	0.062
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.1566
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
290874 (current)	2024-04-05	cif/ Updating files of 1571041, 1571042, 1571043, 1571044, 1571045, 1571046, 1571047, 1571048, 1571049, 1571050, 1571051, 1571052 Original log message: Adding full bibliography for 1571041--1571052.cif.	1571049.cif
289885	2024-02-21	cif/ Adding structures of 1571041, 1571042, 1571043, 1571044, 1571045, 1571046, 1571047, 1571048, 1571049, 1571050, 1571051, 1571052 via cif-deposit CGI script.	1571049.cif