Crystallography Open Database

Information card for entry 1550544

Preview

Coordinates	1550544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H78 Mg2 N4
Calculated formula	C64 H78 Mg2 N4
SMILES	[Mg]1([N](c2c(CC)cccc2CC)=C(C)C=C(N1c1c(CC)cccc1CC)C)C(c1ccccc1)C(c1ccccc1)[Mg]1[N](c2c(CC)cccc2CC)=C(C)C=C(N1c1c(CC)cccc1CC)C
Title of publication	Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis
Authors of publication	Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon
Journal of publication	Chemical Science
Year of publication	2019
a	8.65 ± 0.0003 Å
b	12.2882 ± 0.0005 Å
c	13.5191 ± 0.0005 Å
α	108.311 ± 0.004°
β	90.582 ± 0.003°
γ	100.254 ± 0.003°
Cell volume	1339.07 ± 0.09 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1382
Weighted residual factors for all reflections included in the refinement	0.1501
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
213486 (current)	2019-02-05	cif/ Adding structures of 1550544, 1550545, 1550546, 1550547, 1550548, 1550549, 1550550, 1550551, 1550552, 1550553, 1550554 via cif-deposit CGI script.	1550544.cif