Crystallography Open Database

Information card for entry 1572946

Preview

Coordinates	1572946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 N O5 P Pd S
Calculated formula	C38 H34 N O5 P Pd S
SMILES	[Pd]1([P](c2c(cccc2)c2c(OC)cccc2OC)(c2ccccc2)c2cc(ccc2S(=O)(=O)O1)c1ccccc1)([n]1ccccc1)C
Title of publication	Enhanced mechanical properties of acrylate and 5-vinyl-2-norbornene-based ethylene terpolymers: rational design and synthesis using remotely modulated phosphine–sulfonate palladium complexes
Authors of publication	Li, Yong-Qing; Cao, Gui-Ping; Cao, Yu-Cai
Journal of publication	Polymer Chemistry
Year of publication	2024
Journal volume	15
Journal issue	45
Pages of publication	4662 - 4672
a	17.077 ± 0.003 Å
b	19.687 ± 0.004 Å
c	20.582 ± 0.004 Å
α	90 ± 0.03°
β	91.1 ± 0.03°
γ	90 ± 0.03°
Cell volume	6918 ± 2 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	7
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	0.3259
Residual factor for significantly intense reflections	0.1906
Weighted residual factors for significantly intense reflections	0.3829
Weighted residual factors for all reflections included in the refinement	0.4786
Goodness-of-fit parameter for all reflections included in the refinement	1.438
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
299904 (current)	2025-06-02	cif/1: Fixing Z values and formulae	1572946.cif
296717	2024-12-06	cif/ Updating files of 1572945, 1572946 Original log message: Adding full bibliography for 1572945--1572946.cif.	1572946.cif
295619	2024-10-25	cif/ Adding structures of 1572945, 1572946 via cif-deposit CGI script.	1572946.cif