Crystallography Open Database

Information card for entry 7245418

Preview

Coordinates	7245418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H52 F8 N2
Calculated formula	C70 H52.3333 F8 N2
SMILES	Fc1ccc(C(c2cc(c(/N=C(/C(=N/c3c(cc(cc3C)C(c3ccc(F)cc3)c3ccc(F)cc3)C(c3ccc(F)cc3)c3ccc(F)cc3)C)C)c(c2)C)C(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(F)cc2)cc1
Title of publication	High molecular weight PE elastomers through 4,4-difluorobenzhydryl substitution in symmetrical α-diimino-nickel ethylene polymerization catalysts
Authors of publication	Zheng, Yuting; Jiang, Shu; Liu, Ming; Yu, Zhixin; Ma, Yanping; Solan, Gregory A.; Zhang, Wenjuan; Liang, Tongling; Sun, Wen-Hua
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	37
Pages of publication	24037 - 24049
a	11.0837 ± 0.0001 Å
b	19.8086 ± 0.0001 Å
c	37.841 ± 0.0003 Å
α	89.003 ± 0.001°
β	84.914 ± 0.001°
γ	83.414 ± 0.001°
Cell volume	8220.55 ± 0.11 Å³
Cell temperature	170 ± 0.1 K
Ambient diffraction temperature	170 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1223
Residual factor for significantly intense reflections	0.1097
Weighted residual factors for significantly intense reflections	0.2897
Weighted residual factors for all reflections included in the refinement	0.309
Goodness-of-fit parameter for all reflections included in the refinement	1.281
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297289 (current)	2025-01-11	cif/7: Updating Z values and formulae	7245418.cif
277572	2022-09-02	cif/ Adding structures of 7245418, 7245419, 7245420 via cif-deposit CGI script.	7245418.cif