Crystallography Open Database

Information card for entry 1550548

Preview

Coordinates	1550548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H76 Mg2 N4
Calculated formula	C59 H76 Mg2 N4
SMILES	[Mg]1(N(c2c(cccc2CC)CC)C(=CC(=[N]1c1c(cccc1CC)CC)C)C)[CH2]1C([Mg]12[N](c3c(cccc3CC)CC)=C(C)C=C(N2c1c(cccc1CC)CC)C)(C)c1ccccc1
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	19.9645 ± 0.0007 Å
b	11.2773 ± 0.0004 Å
c	22.9784 ± 0.0008 Å
α	90°
β	93.089 ± 0.003°
γ	90°
Cell volume	5166 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1031
Residual factor for significantly intense reflections	0.0921
Weighted residual factors for significantly intense reflections	0.2567
Weighted residual factors for all reflections included in the refinement	0.2705
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	1550548.cif