Crystallography Open Database

Information card for entry 1552310

Preview

Coordinates	1552310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H30 N O4 P Pd S2
Calculated formula	C33 H30 N O4 P Pd S2
SMILES	[Pd]1(OS(=O)(=O)c2c([P]1(c1c(n3c4ccccc4c4ccccc34)cccc1)c1ccccc1)cccc2)([O]=S(C)C)C
Title of publication	Ligand‒metal secondary interactions in phosphine‒sulfonate palladium and nickel catalyzed ethylene (co)polymerization
Authors of publication	Tan, Chen; Qasim, Muhammad; Pang, Wenmin; Chen, Changle
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	2
Pages of publication	411 - 416
a	10.11 ± 0.0009 Å
b	12.7449 ± 0.0011 Å
c	14.2331 ± 0.0012 Å
α	85.456 ± 0.002°
β	75.679 ± 0.001°
γ	87.617 ± 0.003°
Cell volume	1770.9 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 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	0.1981
Residual factor for significantly intense reflections	0.1027
Weighted residual factors for significantly intense reflections	0.2199
Weighted residual factors for all reflections included in the refinement	0.2451
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
257938 (current)	2020-10-06	cif/ Updating files of 1552310 Original log message: Adding full bibliography for 1552310.cif.	1552310.cif
247838	2020-02-04	cif/ Updating files of 1552310 Original log message: Adding full bibliography for 1552310.cif.	1552310.cif
218119	2019-09-10	cif/ Adding structures of 1552310 via cif-deposit CGI script.	1552310.cif