Crystallography Open Database

Information card for entry 4074132

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Coordinates	4074132.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 2
Formula	C31 H8 F18 Zn
Calculated formula	C31 H8 F18 Zn
Title of publication	Zinc(II) η1- and η2-Toluene Complexes: Structure and Bonding in Zn(C6F5)2·(toluene) and Zn(C6F4-2-C6F5)2·(toluene)
Authors of publication	Guerrero, Antonio; Martin, Eddy; Hughes, David L.; Kaltsoyannis, Nikolas; Bochmann, Manfred
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	14
Pages of publication	3311
a	10.5464 ± 0.0012 Å
b	11.5033 ± 0.0012 Å
c	12.2157 ± 0.0016 Å
α	78.844 ± 0.01°
β	77.811 ± 0.01°
γ	74.448 ± 0.01°
Cell volume	1380.7 ± 0.3 Å³
Cell temperature	180 ± 1 K
Ambient diffraction temperature	180 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	0.933
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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