Crystallography Open Database

Information card for entry 7241789

Preview

Coordinates	7241789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H55 Cl2 Co N3 O4
Calculated formula	C55 H55 Cl2 Co N3 O4
SMILES	[Co]12(Cl)(Cl)[n]3c(C(=[N]1c1c(cc(C(c4ccc(OC)cc4)c4ccc(OC)cc4)cc1C(c1ccc(OC)cc1)c1ccc(OC)cc1)C)C)cccc3C(=[N]2c1c(cc(cc1C)C)C)C
Title of publication	Achieving polydispersive HDPE by N,N,N-Co precatalysts appended with N-2,4-bis(di(4-methoxyphenyl)methyl)-6-methylphenyl
Authors of publication	Yuan, Shi-Fang; Fan, Zhe; Yan, Yi; Ma, Yanping; Han, Mingyang; Liang, Tongling; Sun, Wen-Hua
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	71
Pages of publication	43400 - 43411
a	12.3277 ± 0.0003 Å
b	15.5549 ± 0.0004 Å
c	26.352 ± 0.0007 Å
α	90°
β	98.564 ± 0.002°
γ	90°
Cell volume	4996.8 ± 0.2 Å³
Cell temperature	169.99 ± 0.13 K
Ambient diffraction temperature	169.99 ± 0.13 K
Number of distinct elements	6
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	0.0688
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.156
Weighted residual factors for all reflections included in the refinement	0.1733
Goodness-of-fit parameter for all reflections included in the refinement	1.2723
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
259809 (current)	2020-12-11	cif/ Adding structures of 7241788, 7241789 via cif-deposit CGI script.	7241789.cif