Crystallography Open Database

Information card for entry 1564309

Preview

Coordinates	1564309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H62 Cl2 N2 Pd
Calculated formula	C58 H62 Cl2 N2 Pd
Title of publication	The synergistic effect of rigid and flexible substituents on insertion polymerization with α-diimine nickel and palladium catalysts
Authors of publication	Hai, Zijuan; Lu, Zhou; Li, Shuaikang; Cao, Zhong-Yan; Dai, Shengyu
Journal of publication	Polymer Chemistry
Year of publication	2021
Journal volume	12
Journal issue	32
Pages of publication	4643 - 4653
a	11.0865 ± 0.0011 Å
b	24.739 ± 0.002 Å
c	18.0106 ± 0.0017 Å
α	90°
β	100.813 ± 0.002°
γ	90°
Cell volume	4852 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.1101
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.2027
Weighted residual factors for all reflections included in the refinement	0.2311
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268964 (current)	2021-09-06	cif/ Updating files of 1564309 Original log message: Adding full bibliography for 1564309.cif.	1564309.cif
267882	2021-08-01	cif/ Adding structures of 1564309 via cif-deposit CGI script.	1564309.cif