Crystallography Open Database

Information card for entry 4125252

Preview

Coordinates	4125252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H112 F2 Mg2 N4 O2
Calculated formula	C71 H112 F2 Mg2 N4 O2
Title of publication	Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.
Authors of publication	Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	39
Pages of publication	12763 - 12766
a	11.9516 ± 0.0005 Å
b	18.2934 ± 0.0007 Å
c	15.7645 ± 0.0006 Å
α	90°
β	99.934 ± 0.004°
γ	90°
Cell volume	3395 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1171
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
209173 (current)	2018-07-21	cif/ Updating space group information in entries 1544721, 1544360, 2240371, 4125252, 4341616, 4341617, 4345475, 4513163, 7056234, 7155391, 7223892, 7229961.	4125252.cif
187891	2016-11-06	cif/ Updating files of 4125246, 4125247, 4125248, 4125249, 4125250, 4125251, 4125252 Original log message: Adding full bibliography for 4125246--4125252.cif.	4125252.cif
186743	2016-09-24	cif/ Adding structures of 4125246, 4125247, 4125248, 4125249, 4125250, 4125251, 4125252 via cif-deposit CGI script.	4125252.cif