Crystallography Open Database

Information card for entry 1573827

Preview

Coordinates	1573827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H61 Br3 N2 Ni2 O3
Calculated formula	C39 H61 Br3 N2 Ni2 O3
SMILES	[Ni]12(Br)([Br][Ni]3(Br)([N](=C(C([O]23)(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)CC)C)c1c(cccc1C(C)C)C(C)C)[O]1CCCC1)[O]1CCCC1
Title of publication	Binuclear Ni catalyzed ethylene copolymerization with short chain alkenol monomers
Authors of publication	Lu, Yuan; Ji, Gang; Yu, Shuyang; Ning, Xiaoshan; Sun, Xiu-Li; Gao, Yanshan; Wang, Xiaoyan; Tang, Yong
Journal of publication	Polymer Chemistry
Year of publication	2025
Journal volume	16
Journal issue	10
Pages of publication	1146 - 1154
a	14.9658 ± 0.0009 Å
b	19.0661 ± 0.0009 Å
c	16.9642 ± 0.0009 Å
α	90°
β	98.546 ± 0.002°
γ	90°
Cell volume	4786.8 ± 0.4 Å³
Cell temperature	296 ± 2 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	0.0793
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
299150 (current)	2025-04-05	cif/ Updating files of 1573826, 1573827 Original log message: Adding full bibliography for 1573826--1573827.cif.	1573827.cif
297559	2025-02-01	cif/ Adding structures of 1573826, 1573827 via cif-deposit CGI script.	1573827.cif