Crystallography Open Database

Information card for entry 7048468

Preview

Coordinates	7048468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H37 Br2 F4 N3 Ni O2
Calculated formula	C53 H37 Br2 F4 N3 Ni O2
Title of publication	Plastomeric-like polyethylenes achievable using thermally robust N,N'-nickel catalysts appended with electron withdrawing difluorobenzhydryl and nitro groups.
Authors of publication	Zhang, Randi; Wang, Zheng; Ma, Yanping; Solan, Gregory A.; Sun, Yang; Sun, Wen-Hua
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	5
Pages of publication	1878 - 1891
a	14.652 ± 0.003 Å
b	32.546 ± 0.007 Å
c	10.81 ± 0.002 Å
α	90°
β	95.61 ± 0.03°
γ	90°
Cell volume	5130.2 ± 1.8 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 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	0.084
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.1558
Weighted residual factors for all reflections included in the refinement	0.1614
Goodness-of-fit parameter for all reflections included in the refinement	1.211
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
223991 (current)	2019-11-07	cif/ Updating files of 7048466, 7048467, 7048468 Original log message: Adding full bibliography for 7048466--7048468.cif.	7048468.cif
212941	2019-01-11	cif/ Adding structures of 7048466, 7048467, 7048468 via cif-deposit CGI script.	7048468.cif