Crystallography Open Database

Information card for entry 4066152

Preview

Coordinates	4066152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H35 B F4 N4
Calculated formula	C35 H35 B F4 N4
Title of publication	Synthesis and Structural Characterization of the First Copper(I) Complexes with Bis(imino)-N-heterocyclic Carbene NCN Pincer Ligands
Authors of publication	Al Thagfi, Jameel; Dastgir, Sarim; Lough, Alan J.; Lavoie, Gino G.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	14
Pages of publication	3133
a	7.1346 ± 0.0003 Å
b	31.4177 ± 0.0011 Å
c	7.5643 ± 0.0002 Å
α	90°
β	113.524 ± 0.0019°
γ	90°
Cell volume	1554.65 ± 0.1 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1133
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1673
Weighted residual factors for all reflections included in the refinement	0.1995
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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