Crystallography Open Database

Information card for entry 4077322

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Coordinates	4077322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.5 H27 N O
Calculated formula	C26 H31 N O
Title of publication	A Highly Active Anilinotropone-Based Neutral Nickel(II) Catalyst for Ethylene Polymerization
Authors of publication	Hicks, Frederick A.; Brookhart, Maurice
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	15
Pages of publication	3217
a	15.5935 ± 0.0006 Å
b	14.1245 ± 0.0005 Å
c	19.3648 ± 0.0007 Å
α	90°
β	113.759 ± 0.001°
γ	90°
Cell volume	3903.6 ± 0.2 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.073
Residual factor for significantly intense reflections	0.062
Weighted residual factors for all reflections	0.079
Weighted residual factors for significantly intense reflections	0.077
Goodness-of-fit parameter for significantly intense reflections	4.25
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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