Crystallography Open Database

Information card for entry 4108142

Preview

Coordinates	4108142.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TF04054
Chemical name	(Benzo[h]quinolinato){(2-nitrophenyl-sulfonyl)[(2-(pyridine-2-yl)phenyl] amido}-difluoropalladium(IV) Acetonitrile Solvate
Formula	C32 H23 F2 N5 O4 Pd S
Calculated formula	C32 H23 F2 N5 O4 Pd S
Title of publication	Carbon-Fluorine Reductive Elimination from a High-Valent Palladium Fluoride
Authors of publication	Takeru Furuya; Tobias Ritter
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	10060 - 10061
a	10.0089 ± 0.0003 Å
b	13.3937 ± 0.0004 Å
c	21.0503 ± 0.0007 Å
α	90°
β	99.197 ± 0.003°
γ	90°
Cell volume	2785.65 ± 0.15 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
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	0.0728
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
178827 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/81.	4108142.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108142.cif
56478	2012-05-11	cif/ Adding structures of 4108142 via cif-deposit CGI script.	4108142.cif