Crystallography Open Database

Information card for entry 1575611

Preview

Coordinates	1575611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H112 Li4 Mg2 N12
Calculated formula	C44 H112 Li4 Mg2 N12
Title of publication	A direct comparison of lithium tetra(<i>n</i>-butyl) manganate(II) and magnesiate: structural insights and catalytic hydroamination of styrenes.
Authors of publication	Jones, Rebecca S.; Krämer, Tobias; Nichol, Gary S.; Mahon, Mary F.; Kragskow, Jon G. C.; Uzelac, Marina
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	81
Pages of publication	15834 - 15837
a	10.5208 ± 0.0001 Å
b	16.6818 ± 0.0002 Å
c	17.4957 ± 0.0002 Å
α	103.302 ± 0.001°
β	95.898 ± 0.001°
γ	98.207 ± 0.001°
Cell volume	2928.16 ± 0.06 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 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	0.0509
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
303523 (current)	2025-11-29	cif/ Updating files of 1575607, 1575608, 1575609, 1575610, 1575611 Original log message: Adding full bibliography for 1575607--1575611.cif.	1575611.cif
302033	2025-09-06	cif/ Adding structures of 1575607, 1575608, 1575609, 1575610, 1575611 via cif-deposit CGI script.	1575611.cif