Crystallography Open Database

Information card for entry 1571048

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Coordinates	1571048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H112.49 Mg N3 O2 Si2
Calculated formula	C61 H112.49 Mg N3 O2 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	16.7968 ± 0.0004 Å
b	16.8461 ± 0.0003 Å
c	23.1147 ± 0.0005 Å
α	90°
β	106.935 ± 0.002°
γ	90°
Cell volume	6256.9 ± 0.2 Å³
Cell temperature	99.97 ± 0.11 K
Ambient diffraction temperature	99.97 ± 0.11 K
Number of distinct elements	6
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	0.063
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1614
Weighted residual factors for all reflections included in the refinement	0.1646
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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.	1571048.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.	1571048.cif