Crystallography Open Database

Information card for entry 1550551

Preview

Coordinates	1550551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H80 Mg2 N2 Si2
Calculated formula	C76 H80 Mg2 N2 Si2
SMILES	[Mg](N([Si](C)(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)C)C(c1ccccc1)c1ccccc1)[Mg]N([Si](C)(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)C)C(c1ccccc1)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	11.1004 ± 0.0001 Å
b	16.2687 ± 0.0003 Å
c	18.3324 ± 0.0002 Å
α	90°
β	103.171 ± 0.001°
γ	90°
Cell volume	3223.54 ± 0.08 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0584
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	1550551.cif