Crystallography Open Database

Information card for entry 7112698

Preview

Coordinates	7112698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H114 Li2 Mn O2 Si8
Calculated formula	C69 H114 Li2 Mn O2 Si8
Title of publication	Simple routes to bulky silyl-substituted acetylide ligands and examples of V(III), Fe(II), and Mn(II) complexes.
Authors of publication	Yee, Gereon M.; Kowolik, Kristin; Manabe, Shuhei; Fettinger, James C.; Berben, Louise A.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2011
Journal volume	47
Journal issue	42
Pages of publication	11680 - 11682
a	15.2016 ± 0.0008 Å
b	12.4057 ± 0.0006 Å
c	20.766 ± 0.001 Å
α	90°
β	94.668 ± 0.001°
γ	90°
Cell volume	3903.2 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
180240 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/26.	7112698.cif
111792	2014-04-28	cif/ Adding structures of 7112697, 7112698, 7112699 via cif-deposit CGI script.	7112698.cif