Crystallography Open Database

Information card for entry 4518031

Preview

Coordinates	4518031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H38 Cl2 N2 O Pd S
Calculated formula	C34 H38 Cl2 N2 O Pd S
Title of publication	Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.
Authors of publication	Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.
Journal of publication	ACS omega
Year of publication	2020
Journal volume	5
Journal issue	37
Pages of publication	24018 - 24032
a	19.383 ± 0.004 Å
b	20.236 ± 0.004 Å
c	19.392 ± 0.004 Å
α	90°
β	119.84 ± 0.01°
γ	90°
Cell volume	6598 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0549
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
257065 (current)	2020-10-04	cif/ Updating files of 4518031, 4518032, 4518033, 4518034 Original log message: Adding full bibliography for 4518031--4518034.cif.	4518031.cif
256306	2020-09-11	cif/ Adding structures of 4518031 via cif-deposit CGI script.	4518031.cif