Crystallography Open Database

Information card for entry 4104104

Preview

Coordinates	4104104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H144 K2 Mg2 N4 O8
Calculated formula	C88 H144 K2 Mg2 N4 O8
SMILES	C1(=C(C)N([Mg]N1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C.[K]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
Title of publication	Magnesium-Magnesium Bond Stabilized by a Doubly Reduced α-Diimine: Synthesis and Structure of [K(THF)3]2[LMg-MgL] (L = [(2,6-iPr2C6H3)NC(Me)]22-)
Authors of publication	Yanyan Liu; Shaoguang Li; Xiao-Juan Yang; Peiju Yang; Biao Wu
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	4210 - 4211
a	13.138 ± 0.002 Å
b	13.301 ± 0.002 Å
c	15.464 ± 0.004 Å
α	105.16 ± 0.003°
β	100.332 ± 0.003°
γ	115.281 ± 0.002°
Cell volume	2223.5 ± 0.8 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	0.1019
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1723
Weighted residual factors for all reflections included in the refinement	0.2011
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178787 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/41.	4104104.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104104.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104104.cif
28612	2011-10-30	../uploads/cif-deposit/cod/cif Adding structures of 4104104 via cif-deposit CGI script.	4104104.cif