Crystallography Open Database

Information card for entry 1571260

Preview

Coordinates	1571260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H36 Br2 N6 Ni
Calculated formula	C50 H36 Br2 N6 Ni
Title of publication	An aza-cyclophane supported macrocyclic α-diimine nickel catalyst for ethylene polymerization
Authors of publication	Yang, Jingshuang; Chi, Yue; Zhang, Yuxing; Jian, Zhongbao
Journal of publication	Polymer Chemistry
Year of publication	2024
Journal volume	15
Journal issue	15
Pages of publication	1530 - 1535
a	11.8543 ± 0.0004 Å
b	22.0339 ± 0.0008 Å
c	17.7751 ± 0.0007 Å
α	90°
β	102.638 ± 0.001°
γ	90°
Cell volume	4530.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1139
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1376
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
291702 (current)	2024-05-05	cif/ Updating files of 1571260 Original log message: Adding full bibliography for 1571260.cif.	1571260.cif
290542	2024-03-20	cif/ Adding structures of 1571260 via cif-deposit CGI script.	1571260.cif