Crystallography Open Database

Information card for entry 1544903

Preview

Coordinates	1544903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H31 N3 O3 Pd
Calculated formula	C29 H31 N3 O3 Pd
SMILES	[Pd]12([N]3=C(c4c(N2c2c(C5=[N]1[C@@H](C(C)C)CO5)cccc2)cccc4)OC[C@@H]3C(C)C)C.O1CCCC1
Title of publication	A highly active chiral (S,S)-bis(oxazoline) Pd(ii) alkyl complex/activator catalytic system for vinyl polymerization of norbornene in air and water
Authors of publication	Huang, Yingda; He, Jianyun; Liu, Zhanxiong; Cai, Guilong; Zhang, Shaowen; Li, Xiaofang
Journal of publication	Polym. Chem.
Year of publication	2017
Journal volume	8
Journal issue	7
Pages of publication	1217
a	9.1556 ± 0.0003 Å
b	9.1556 ± 0.0003 Å
c	66.051 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5536.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	1.176
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
193920 (current)	2017-03-05	cif/ Updating files of 1544903 Original log message: Adding full bibliography for 1544903.cif.	1544903.cif
189437	2016-12-27	cif/ Adding structures of 1544903 via cif-deposit CGI script.	1544903.cif