Crystallography Open Database

Information card for entry 4105599

Preview

Coordinates	4105599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H88 Si4 U
Calculated formula	C102 H88 Si4 U
Title of publication	Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands
Authors of publication	Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	1257 - 1259
a	11.6569 ± 0.0008 Å
b	25.6459 ± 0.0017 Å
c	26.8855 ± 0.0017 Å
α	90°
β	94.549 ± 0.0008°
γ	90°
Cell volume	8012.1 ± 0.9 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
178801 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/55.	4105599.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105599.cif
52358	2012-04-10	../uploads/cif-deposit/cod/cif Adding structures of 4105599 via cif-deposit CGI script.	4105599.cif