Crystallography Open Database

Information card for entry 1551201

Preview

Coordinates	1551201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H62 B F24 Na Ni O7 P2
Calculated formula	C70 H62 B F24 Na Ni O7 P2
SMILES	[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.c12c3cc(cc1[P](c1ccccc1OC)(c1ccccc1OC)[Ni]([O]2[Na]124[O](C3)CC[O]1CC[O]4CC[O]2C)([P](C)(C)C)c1ccccc1)C
Title of publication	Development of highly productive nickel‒sodium phenoxyphosphine ethylene polymerization catalysts and their reaction temperature profiles
Authors of publication	Tran, Thi V.; Nguyen, Yennie H.; Do, Loi H.
Journal of publication	Polymer Chemistry
Year of publication	2019
Journal volume	10
Journal issue	27
Pages of publication	3718
a	21.7805 ± 0.0017 Å
b	17.3222 ± 0.0014 Å
c	19.7901 ± 0.0016 Å
α	90°
β	102.54 ± 0.001°
γ	90°
Cell volume	7288.4 ± 1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
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	0.0779
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1861
Weighted residual factors for all reflections included in the refinement	0.2007
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
225335 (current)	2019-11-08	cif/ Updating files of 1551200, 1551201 Original log message: Adding full bibliography for 1551200--1551201.cif.	1551201.cif
215684	2019-06-04	cif/ Adding structures of 1551200, 1551201 via cif-deposit CGI script.	1551201.cif