Crystallography Open Database

Information card for entry 4087738

Preview

Coordinates	4087738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H56 O6 Zn2
Calculated formula	C52 H56 O6 Zn2
SMILES	C(C)[Zn]1([O]=C(C(c2ccccc2)(c2ccccc2)c2ccccc2)O[Zn](CC)([O]=C(C(c2ccccc2)(c2ccccc2)c2ccccc2)O1)[O]1CCCC1)[O]1CCCC1
Title of publication	Structural Diversity of Ethylzinc Carboxylates
Authors of publication	Grala, Agnieszka; Wolska-Pietkiewicz, Małgorzata; Wojewódzka, Anna; Dabergut, Monika; Justyniak, Iwona; Lewiński, Janusz
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	20
Pages of publication	4959
a	12.3651 ± 0.0002 Å
b	12.8769 ± 0.0001 Å
c	15.4302 ± 0.0002 Å
α	105.121 ± 0.001°
β	103.313 ± 0.001°
γ	100.473 ± 0.001°
Cell volume	2230.27 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0417
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236965 (current)	2019-11-24	cif/ Adding structures of 4087738, 4087739, 4087740, 4087741 via cif-deposit CGI script.	4087738.cif