Crystallography Open Database

Information card for entry 4074835

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Coordinates	4074835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 F6 N O2
Calculated formula	C15 H13 F6 N O2
Title of publication	Synthesis, Characterization, and Ethylene Polymerization Activities of Neutral Nickel(II) Complexes Derived from Anilino-Substituted Enone Ligands Bearing Trifluoromethyl and Trifluoroacetyl Substituents
Authors of publication	Zhang, Lei; Brookhart, Maurice; White, Peter S.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	8
Pages of publication	1868
a	7.719 ± 0.0012 Å
b	9.4574 ± 0.0015 Å
c	11.3047 ± 0.0017 Å
α	75.083 ± 0.006°
β	78.299 ± 0.006°
γ	81.459 ± 0.007°
Cell volume	776.8 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.041
Weighted residual factors for all reflections	0.053
Weighted residual factors for significantly intense reflections	0.05
Goodness-of-fit parameter for significantly intense reflections	2.37
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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