Crystallography Open Database

Information card for entry 1554388

Preview

Coordinates	1554388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H76 Cl2 Mg2 N4
Calculated formula	C58 H76 Cl2 Mg2 N4
SMILES	CC1=[N](c2c(cccc2C(C)C)C(C)C)[Mg]2(N(C(=C1)C)c1c(cc(cc1C)C)C)[Cl][Mg]1(N(C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C)c1c(cccc1C(C)C)C(C)C)[Cl]2.c1ccccc1
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	11.9804 ± 0.0006 Å
b	15.2444 ± 0.0007 Å
c	15.0882 ± 0.0007 Å
α	90°
β	95.298 ± 0.001°
γ	90°
Cell volume	2743.8 ± 0.2 Å³
Cell temperature	135 ± 2 K
Ambient diffraction temperature	135 ± 2 K
Number of distinct elements	5
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	0.0573
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
237180 (current)	2019-11-24	cif/ Adding structures of 1554381, 1554382, 1554383, 1554384, 1554385, 1554386, 1554387, 1554388, 1554389, 1554390, 1554391 via cif-deposit CGI script.	1554388.cif