Crystallography Open Database

Information card for entry 4125247

Preview

Coordinates	4125247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H49 F5 Mg N2 O
Calculated formula	C39 H49 F5 Mg N2 O
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	12.8601 ± 0.0011 Å
b	15.9403 ± 0.0014 Å
c	18.1538 ± 0.0013 Å
α	84.244 ± 0.007°
β	89.38 ± 0.006°
γ	88.675 ± 0.007°
Cell volume	3701.5 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1694
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1904
Weighted residual factors for all reflections included in the refinement	0.2208
Goodness-of-fit parameter for all reflections included in the refinement	0.813
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
187891 (current)	2016-11-06	cif/ Updating files of 4125246, 4125247, 4125248, 4125249, 4125250, 4125251, 4125252 Original log message: Adding full bibliography for 4125246--4125252.cif.	4125247.cif
186743	2016-09-24	cif/ Adding structures of 4125246, 4125247, 4125248, 4125249, 4125250, 4125251, 4125252 via cif-deposit CGI script.	4125247.cif