Crystallography Open Database

Information card for entry 4518034

Preview

Coordinates	4518034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Cl2 N2 Pd
Calculated formula	C16 H18 Cl2 N2 Pd
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	8.623 ± 0.003 Å
b	9.493 ± 0.003 Å
c	11.552 ± 0.004 Å
α	112.209 ± 0.01°
β	107.067 ± 0.009°
γ	96.813 ± 0.01°
Cell volume	808.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0267
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.0543
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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.	4518034.cif
256309	2020-09-11	cif/ Adding structures of 4518034 via cif-deposit CGI script.	4518034.cif