Crystallography Open Database

Information card for entry 1570475

Preview

Coordinates	1570475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H44 Cl N2 Pd
Calculated formula	C47 H44 Cl N2 Pd
Title of publication	Ligand pre-inserted α-diimine palladium catalysts and mechanism studies in olefin polymerization
Authors of publication	Liu, Yue; Yang, Gang; Li, Chao; Tan, Chen; Chen, Min
Journal of publication	Polymer Chemistry
Year of publication	2024
Journal volume	15
Journal issue	1
Pages of publication	40 - 45
a	19.1884 ± 0.0005 Å
b	10.6212 ± 0.0003 Å
c	20.1144 ± 0.0005 Å
α	90°
β	107.614 ± 0.001°
γ	90°
Cell volume	3907.2 ± 0.18 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.0662
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1702
Weighted residual factors for all reflections included in the refinement	0.1758
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
289645 (current)	2024-02-04	cif/ Updating files of 1570475, 1570476, 1570477 Original log message: Adding full bibliography for 1570475--1570477.cif.	1570475.cif
287916	2023-12-01	cif/ Adding structures of 1570475, 1570476, 1570477 via cif-deposit CGI script.	1570475.cif