Crystallography Open Database

Information card for entry 4082189

Preview

Coordinates	4082189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H51 F5 N2 Zn
Calculated formula	C43 H51 F5 N2 Zn
SMILES	[Zn]1(C2([C]1(C)=C(C(=C2C)C)C)C)(=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Reactions of CO2with Heteroleptic Zinc and Zinc‒NHC Complexes
Authors of publication	Jochmann, Phillip; Stephan, Douglas W.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	24
Pages of publication	7503
a	10.7999 ± 0.001 Å
b	11.0455 ± 0.0011 Å
c	17.5379 ± 0.0017 Å
α	93.117 ± 0.005°
β	93.159 ± 0.005°
γ	111.096 ± 0.005°
Cell volume	1942.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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