Crystallography Open Database

Information card for entry 4082473

Preview

Coordinates	4082473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H46 F6 O8 Pd S2
Calculated formula	C38 H26 F6 O6 Pd S2
Title of publication	Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes
Authors of publication	Drinkel, Emma E.; Wu, Linglin; Linden, Anthony; Dorta, Reto
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	3
Pages of publication	627
a	10.9606 ± 0.0001 Å
b	10.9606 ± 0.0001 Å
c	28.9827 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	3015.35 ± 0.06 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	6
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
178713 (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 4/08/24.	4082473.cif
104416	2014-03-11	cif/ Adding structures of 4082472, 4082473, 4082474, 4082475, 4082476, 4082477 via cif-deposit CGI script.	4082473.cif