Crystallography Open Database

Information card for entry 4066019

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Structure parameters

Formula	C36 H41 N O2
Calculated formula	C36 H41 N O2
SMILES	OC(c1c(c(cc(c1)C(C)(C)C)/C=N/c1c(cccc1C(C)C)C(C)C)O)(c1ccccc1)c1ccccc1
Title of publication	Ethylene Polymerization Characteristics of an Electron-Deficient Nickel(II) Phenoxyiminato Catalyst Modulated by Non-Innocent Intramolecular Hydrogen Bonding†
Authors of publication	Delferro, Massimiliano; McInnis, Jennifer P.; Marks, Tobin J.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	21
Pages of publication	5040
a	9.6595 ± 0.0002 Å
b	11.1247 ± 0.0002 Å
c	14.6231 ± 0.0003 Å
α	100.354 ± 0.001°
β	102.299 ± 0.001°
γ	95.643 ± 0.001°
Cell volume	1494.98 ± 0.05 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1063
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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