Crystallography Open Database

Information card for entry 1573826

Preview

Coordinates	1573826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H47 Br3 N2 Ni2 O3
Calculated formula	C32 H47 Br3 N2 Ni2 O3
SMILES	Br[Ni]12([Br][Ni]3(Br)([O]1C(C(=[N]2c1c(cccc1C)C)C)(C(=[N]3c1c(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	9.1461 ± 0.0002 Å
b	9.5974 ± 0.0002 Å
c	20.7405 ± 0.0005 Å
α	97.081 ± 0.001°
β	102.662 ± 0.001°
γ	92.41 ± 0.001°
Cell volume	1758.26 ± 0.07 Å³
Cell temperature	235 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.1302
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
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.	1573826.cif
297559	2025-02-01	cif/ Adding structures of 1573826, 1573827 via cif-deposit CGI script.	1573826.cif