Crystallography Open Database

Information card for entry 4088621

Preview

Coordinates	4088621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H38 K2 N4 O2
Calculated formula	C44 H38 K2 N4 O2
Title of publication	Catalytically Active N-Acylamidine‒Zirconium Complexes: Synthesis, Structures, and Application in Ethylene Polymerization
Authors of publication	Holtrichter-Rößmann, Thorsten; Häger, Ina; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Bergander, Klaus; Troll, Carsten; Rieger, Bernhard; Rojas, René S.; Würthwein, Ernst-Ulrich
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	11
Pages of publication	1906
a	21.6589 ± 0.0004 Å
b	15.1951 ± 0.0003 Å
c	13.7325 ± 0.0002 Å
α	90°
β	107.786 ± 0.001°
γ	90°
Cell volume	4303.48 ± 0.13 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
237717 (current)	2019-11-24	cif/ Adding structures of 4088621 via cif-deposit CGI script.	4088621.cif