Crystallography Open Database

Information card for entry 1506895

Preview

Coordinates	1506895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.5 H45 Cl5 P2 Pd S
Calculated formula	C33.5 H44 Cl5 P2 Pd S
Title of publication	Preparation and coordination properties including catalytic activities of a bulky 2-methyl-3-thioxo-1,3-diphosphapropene.
Authors of publication	Liang, Hongze; Ito, Shigekazu; Yoshifuji, Masaaki
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	3
Pages of publication	425 - 427
a	13.0619 ± 0.0009 Å
b	14.127 ± 0.002 Å
c	11.692 ± 0.001 Å
α	108.13 ± 0.01°
β	109.703 ± 0.005°
γ	77.28 ± 0.02°
Cell volume	1914.2 ± 0.4 Å³
Cell temperature	296.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.1631
Goodness-of-fit parameter for all reflections included in the refinement	1.571
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506895.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506895.cif
51529	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506895 via cif-deposit CGI script.	1506895.cif