Crystallography Open Database

Information card for entry 7112699

Preview

Coordinates	7112699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H116 Li O4 Si8 V
Calculated formula	C72 H116 Li O4 Si8 V
SMILES	C(#Cc1c(cccc1[Si](C)(C)C)[Si](C)(C)C)[V](C#Cc1c(cccc1[Si](C)(C)C)[Si](C)(C)C)(C#Cc1c(cccc1[Si](C)(C)C)[Si](C)(C)C)C#Cc1c(cccc1[Si](C)(C)C)[Si](C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
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	14.7882 ± 0.0003 Å
b	14.7882 ± 0.0003 Å
c	38.0825 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	8328.3 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7112699.cif
111792	2014-04-28	cif/ Adding structures of 7112697, 7112698, 7112699 via cif-deposit CGI script.	7112699.cif