Crystallography Open Database

Information card for entry 4080690

Preview

Coordinates	4080690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H21 K N P S
Calculated formula	C16 H21 K N P S
SMILES	[K+].[S-]P(=Cc1nc2ccccc2cc1)(C(C)C)C(C)C
Title of publication	Synthesis and Structural Characterization of Lithium, Potassium, Magnesium, and Heavier Group 14 Metal Complexes Derived from 2-Quinolyl-Linked (Thiophosphorano)methane
Authors of publication	Leung, Wing-Por; Chan, Yuk-Chi; Mak, Thomas C. W.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	9
Pages of publication	2584
a	12.8842 ± 0.0009 Å
b	9.9351 ± 0.0007 Å
c	13.9787 ± 0.001 Å
α	90°
β	105.895 ± 0.001°
γ	90°
Cell volume	1720.9 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.071
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
178695 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/06.	4080690.cif
87263	2013-07-14	cif/ Adding structures of 4080685, 4080686, 4080687, 4080688, 4080689, 4080690, 4080691, 4080692 via cif-deposit CGI script.	4080690.cif