Crystallography Open Database

Information card for entry 4068153

Preview

Coordinates	4068153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H50 Br1.92 I0.08 N6 Ni
Calculated formula	C44 H50 Br1.92 I0.08 N6 Ni
Title of publication	Synthesis and Structural Characterization of Nickel(II) Complexes with Imino-N-heterocyclic Carbene Heteroditopic Ligands
Authors of publication	Badaj, Anna C.; Lavoie, Gino G.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	3
Pages of publication	1103
a	8.0003 ± 0.0017 Å
b	11.391 ± 0.002 Å
c	12.304 ± 0.003 Å
α	75.148 ± 0.004°
β	84.112 ± 0.004°
γ	75.031 ± 0.004°
Cell volume	1046.2 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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