Crystallography Open Database

Information card for entry 4070137

Preview

Coordinates	4070137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H72 Cl6 N4 O2 Pd
Calculated formula	C55 H70 Cl6 N4 O2 Pd
Title of publication	Synthesis, Structures, and Norbornene Polymerization Behavior of Bis(aryloxide-N-heterocyclic carbene) Palladium Complexes
Authors of publication	Kong, Yong; Ren, Hongping; Xu, Shansheng; Song, Haibin; Liu, Binyuan; Wang, Baiquan
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	20
Pages of publication	5934
a	16.777 ± 0.003 Å
b	21.047 ± 0.004 Å
c	16.478 ± 0.003 Å
α	90°
β	97.88 ± 0.03°
γ	90°
Cell volume	5763.5 ± 1.9 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178590 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/01.	4070137.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070137.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070137.cif
40608	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4070132, 4070133, 4070134, 4070135, 4070136, 4070137 via cif-deposit CGI script.	4070137.cif