Crystallography Open Database

Information card for entry 1570477

Preview

Coordinates	1570477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H60 B F24 N3 Pd
Calculated formula	C81 H60 B F24 N3 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	10.034 ± 0.0003 Å
b	19.1514 ± 0.0007 Å
c	20.3631 ± 0.0006 Å
α	100.585 ± 0.001°
β	95.043 ± 0.001°
γ	104.58 ± 0.001°
Cell volume	3685.4 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.1478
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	1570477.cif
287916	2023-12-01	cif/ Adding structures of 1570475, 1570476, 1570477 via cif-deposit CGI script.	1570477.cif