Crystallography Open Database

Information card for entry 1570515

Preview

Coordinates	1570515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H37 N2 Ni O P
Calculated formula	C40 H37 N2 Ni O P
SMILES	[Ni]1([P](c2c(O1)c(ccc2)C(C)(C)C)(c1ccccc1)c1c(n2c3ccccc3c3c2cccc3)cccc1)([n]1ccccc1)C
Title of publication	Lewis acid modulation in phosphorus phenol nickel catalyzed ethylene polymerization and copolymerization
Authors of publication	Wang, Wenbing; Nie, Nan; Xu, Menghe; Zou, Chen
Journal of publication	Polymer Chemistry
Year of publication	2023
Journal volume	14
Journal issue	43
Pages of publication	4933 - 4939
a	10.4219 ± 0.0008 Å
b	12.3823 ± 0.001 Å
c	12.6499 ± 0.0009 Å
α	88.716 ± 0.002°
β	83.981 ± 0.002°
γ	85.981 ± 0.003°
Cell volume	1619.3 ± 0.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.0448
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
288067 (current)	2023-12-06	cif/ Adding structures of 1570513, 1570514, 1570515 via cif-deposit CGI script.	1570515.cif