Crystallography Open Database

Information card for entry 7113082

Preview

Coordinates	7113082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H98 N4 O Si2
Calculated formula	C74 H98 N4 O Si2
Title of publication	Synthesis, structure, and theoretical investigation of amidinato supported 1,4-disilabenzene.
Authors of publication	Sen, Sakya S.; Roesky, Herbert W.; Meindl, Kathrin; Stern, Daniel; Henn, Julian; Stückl, A Claudia; Stalke, Dietmar
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	32
Pages of publication	5873 - 5875
a	14.0399 ± 0.0008 Å
b	14.0399 ± 0.0008 Å
c	28.1188 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	4800.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1755
Weighted residual factors for all reflections included in the refinement	0.1781
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
180244 (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 7/11/30.	7113082.cif
112245	2014-04-30	cif/ Adding structures of 7113082 via cif-deposit CGI script.	7113082.cif