Crystallography Open Database

Information card for entry 1554381

Preview

Structure parameters

Formula	C29 H43 I Mg N2 O
Calculated formula	C29 H43 I Mg N2 O
SMILES	I[Mg]1([O](CC)CC)[N](c2c(cccc2C(C)C)C(C)C)=C(C)C=C(C)N1c1c(cccc1C)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	8.4477 ± 0.0015 Å
b	11.883 ± 0.002 Å
c	15.889 ± 0.003 Å
α	97.79 ± 0.004°
β	90.12 ± 0.004°
γ	96.968 ± 0.004°
Cell volume	1568.3 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0749
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1554381.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.	1554381.cif