Crystallography Open Database

Information card for entry 4086396

Preview

Coordinates	4086396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 Cl N3 O Pd
Calculated formula	C23 H28 Cl N3 O Pd
SMILES	[Pd]12(=C3N(C=CN3c3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)Cc1[n]2cccc1)Cl
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	34.78 ± 0.02 Å
b	6.979 ± 0.004 Å
c	19.355 ± 0.013 Å
α	90°
β	114.29 ± 0.007°
γ	90°
Cell volume	4282 ± 5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.092
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	4086396.cif
174728	2016-01-22	cif/ Adding structures of 4086395, 4086396, 4086397, 4086398 via cif-deposit CGI script.	4086396.cif