Crystallography Open Database

Information card for entry 7716995

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Coordinates	7716995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H35 B F20 N2 Zn
Calculated formula	C66 H35 B F20 N2 Zn
Title of publication	Low coordinate Zn(II) organocations bearing extremely bulky NHC ligands: structural features, air and water tolerance and use in hydrosilylation and hydrogenation catalysis.
Authors of publication	Xu, Xuejuan; Parmentier, Jordan; Gourlaouen, Christophe; Jacques, Béatrice; Dagorne, Samuel
Journal of publication	Dalton Transactions
Year of publication	2024
a	13.6938 ± 0.0006 Å
b	15.171 ± 0.0006 Å
c	15.3762 ± 0.0007 Å
α	77.32 ± 0.001°
β	71.615 ± 0.002°
γ	66.508 ± 0.001°
Cell volume	2763.9 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0384
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.0954
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	No
Has F_obs	No

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