Crystallography Open Database

Information card for entry 4071867

Preview

Coordinates	4071867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H46.5 I1.5 N3 Ni1.5 O3
Calculated formula	C33 H46.5 I1.5 N3 Ni1.5 O3
Title of publication	Chiral Nickel(II) and Palladium(II) NCN-Pincer Complexes Based on Substituted Benzene: Synthesis, Structure, and Lewis Acidity
Authors of publication	Bugarin, Alejandro; Connell, Brian T.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	17
Pages of publication	4357
a	5.901 ± 0.003 Å
b	32.739 ± 0.019 Å
c	18.306 ± 0.01 Å
α	90°
β	95.539 ± 0.009°
γ	90°
Cell volume	3520 ± 3 Å³
Cell temperature	60 ± 2 K
Ambient diffraction temperature	60 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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