Crystallography Open Database

Information card for entry 4085683

Preview

Coordinates	4085683.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	K^3^(2-triphenylphosphinimine-5-methylbenzenesulfonate) palladium(4-tbutylpyridine)
Chemical name	K^3^(2-triphenylphosphinimine-5-methylbenzenesulfonate) palladium(4-tbutylpyridine)
Formula	C43 H23 N2 O3 P Pd S
Calculated formula	C43 H23 N2 O3 P Pd S
Title of publication	Synthesis and Reactivity of Neutral Palladium(II) Alkyl Complexes that Contain Phosphinimine-Arenesulfonate Ligands
Authors of publication	Burns, Christopher T.; Shang, Suisheng; Mashuta, Mark S.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	10
Pages of publication	1844
a	9.3572 ± 0.0006 Å
b	11.8341 ± 0.0008 Å
c	18.5228 ± 0.0014 Å
α	87.01 ± 0.006°
β	87.005 ± 0.006°
γ	69.223 ± 0.006°
Cell volume	1913.9 ± 0.2 Å³
Cell temperature	99.95 ± 0.1 K
Ambient diffraction temperature	99.95 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
141377 (current)	2015-07-09	cif/ Updating files of 4085682, 4085683 Original log message: Adding full bibliography for 4085682--4085683.cif.	4085683.cif
136063	2015-05-12	cif/ Adding structures of 4085682, 4085683 via cif-deposit CGI script.	4085683.cif