Crystallography Open Database

Information card for entry 4082192

Preview

Coordinates	4082192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66.5 H82 F10 N4 O4 Zn2
Calculated formula	C66.5 H82 F10 N4 O4 Zn2
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	13.7145 ± 0.0014 Å
b	16.2277 ± 0.0018 Å
c	16.6177 ± 0.0018 Å
α	79.632 ± 0.004°
β	76.84 ± 0.004°
γ	66.213 ± 0.003°
Cell volume	3279.1 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0657
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	0.83
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4082192.cif
92226	2014-01-12	cif/ Adding structures of 4082187, 4082188, 4082189, 4082190, 4082191, 4082192 via cif-deposit CGI script.	4082192.cif