Crystallography Open Database

Information card for entry 1575943

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Coordinates	1575943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H35 Br3 F4 N4 Ni
Calculated formula	C44 H35 Br3 F4 N4 Ni
Title of publication	Correlating electronic properties of a nickel polymerisation catalyst with the branching density of a polyethylene
Authors of publication	Zeng, Yifan; Wang, Yizhou; Singh, Kuldip; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua
Journal of publication	Catalysis Science & Technology
Year of publication	2025
Journal volume	15
Journal issue	18
Pages of publication	5335 - 5345
a	16.7042 ± 0.0013 Å
b	13.9391 ± 0.0011 Å
c	36.092 ± 0.003 Å
α	90°
β	102.438 ± 0.003°
γ	90°
Cell volume	8206.5 ± 1.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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