Crystallography Open Database

Information card for entry 4086397

Preview

Coordinates	4086397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21.5 H34 Cl N3 O1.5 Pd
Calculated formula	C21.5 H34 Cl N3 O1.5 Pd
Title of publication	Synthesis, Structures, and Norbornene Polymerization Behavior of Palladium Complexes Bearing Tridentateo-Aryloxide-N-heterocyclic Carbene Ligands
Authors of publication	Yang, Dandan; Tang, Yungang; Song, Haibin; Wang, Baiquan
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	10
Pages of publication	1392
a	30.236 ± 0.006 Å
b	9.775 ± 0.002 Å
c	17.405 ± 0.004 Å
α	90°
β	101.4 ± 0.03°
γ	90°
Cell volume	5042.7 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
183596 (current)	2016-06-17	cif/ Updating files of 4086395, 4086396, 4086397, 4086398 Original log message: Adding full bibliography for 4086395--4086398.cif.	4086397.cif
174728	2016-01-22	cif/ Adding structures of 4086395, 4086396, 4086397, 4086398 via cif-deposit CGI script.	4086397.cif