Crystallography Open Database

Information card for entry 4069703

Preview

Coordinates	4069703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.5 H35 N P2 S Si
Calculated formula	C31.5 H35 N P2 S Si
Title of publication	Synthesis and Structure of [Li2C(PPh2═NSiMe3)(PPh2═S)]: A Geminal Dianionic Ligand
Authors of publication	Chen, Jun-Hui; Guo, Jiayi; Li, Yongxin; So, Cheuk-Wai
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	15
Pages of publication	4617
a	36.0248 ± 0.0015 Å
b	15.8353 ± 0.0006 Å
c	11.096 ± 0.0004 Å
α	90°
β	106.504 ± 0.004°
γ	90°
Cell volume	6069.1 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0735
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.1607
Goodness-of-fit parameter for all reflections included in the refinement	1.152
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4069703.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069703.cif
40399	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069701, 4069702, 4069703 via cif-deposit CGI script.	4069703.cif