Crystallography Open Database

Information card for entry 4082474

Preview

Coordinates	4082474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H54 B2 Cl2 F8 O4 Pd S4
Calculated formula	C68 H52 B2 F8 O4 Pd S4
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	8.4293 ± 0.0001 Å
b	26.3296 ± 0.0003 Å
c	14.5271 ± 0.0002 Å
α	90°
β	91.0399 ± 0.0007°
γ	90°
Cell volume	3223.61 ± 0.07 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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.	4082474.cif
104416	2014-03-11	cif/ Adding structures of 4082472, 4082473, 4082474, 4082475, 4082476, 4082477 via cif-deposit CGI script.	4082474.cif