Crystallography Open Database

Information card for entry 7014380

Preview

Coordinates	7014380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H52 Li N4 P S Si2
Calculated formula	C27.5 H52 Li N4 P S Si2
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	33.944 ± 0.005 Å
b	9.5352 ± 0.0013 Å
c	21.921 ± 0.003 Å
α	90°
β	101.895 ± 0.003°
γ	90°
Cell volume	6942.7 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.0974
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7014380.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014380.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014380.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.	7014380.cif