Crystallography Open Database

Information card for entry 7014382

Preview

Coordinates	7014382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H31 N2 P S Si2
Calculated formula	C19 H31 N2 P S Si2
SMILES	c1(ccccc1)P(c1ccccc1)CS(N[Si](C)(C)C)=N[Si](C)(C)C
Title of publication	Access to new Janus head ligands: linking sulfur diimides and phosphanes for hemilabile tripodal scorpionates.
Authors of publication	Meinholz, Margret M.; Pandey, Sushil K.; Deuerlein, Stephan M.; Stalke, Dietmar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	8
Pages of publication	1662 - 1671
a	12.9937 ± 0.0007 Å
b	9.9367 ± 0.0006 Å
c	18.1145 ± 0.001 Å
α	90°
β	99.843 ± 0.001°
γ	90°
Cell volume	2304.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
179847 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/43.	7014382.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014382.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014382.cif
14740	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014374, 7014375, 7014376, 7014377, 7014378, 7014379, 7014380, 7014381, 7014382 via cif-deposit CGI script.	7014382.cif