Crystallography Open Database

Information card for entry 4065758

Preview

Coordinates	4065758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H44 Li N O P2 S2
Calculated formula	C23 H44 Li N O P2 S2
SMILES	[Li]12([O](CC)CC)[n]3c(cccc3CP(=[S]1)(C(C)C)C(C)C)C=P(S2)(C(C)C)C(C)C
Title of publication	Synthesis of Heavier Group 14 Metal Compounds from 2,6-Lutidylbis(phosphoranosulfide)
Authors of publication	Leung, Wing-Por; Kan, Kwok-Wai; Mak, Thomas C. W.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	8
Pages of publication	1890
a	11.834 ± 0.002 Å
b	14.601 ± 0.003 Å
c	16.589 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2866.4 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.131
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1585
Weighted residual factors for all reflections included in the refinement	0.1942
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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
178550 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/57.	4065758.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065758.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065758.cif
33680	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065758, 4065759, 4065760, 4065761, 4065762 via cif-deposit CGI script.	4065758.cif