Crystallography Open Database

Information card for entry 1554391

Preview

Coordinates	1554391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H70 Mg2 N4
Calculated formula	C52 H70 Mg2 N4
SMILES	[Mg]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cc(cc1C)C)C)[Mg]1N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cc(cc1C)C)C
Title of publication	Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds
Authors of publication	Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao
Journal of publication	Organic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	24
Pages of publication	3538
a	17.7085 ± 0.0009 Å
b	33.2898 ± 0.0016 Å
c	17.0054 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	10024.9 ± 0.9 Å³
Cell temperature	135 ± 2 K
Ambient diffraction temperature	135 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1431
Residual factor for significantly intense reflections	0.1024
Weighted residual factors for significantly intense reflections	0.1999
Weighted residual factors for all reflections included in the refinement	0.2137
Goodness-of-fit parameter for all reflections included in the refinement	1.236
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300101 (current)	2025-06-17	cif/1: Fixing Z values and formulae	1554391.cif
237180	2019-11-24	cif/ Adding structures of 1554381, 1554382, 1554383, 1554384, 1554385, 1554386, 1554387, 1554388, 1554389, 1554390, 1554391 via cif-deposit CGI script.	1554391.cif