Crystallography Open Database

Information card for entry 4069941

Preview

Coordinates	4069941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H86 Si2 Yb2
Calculated formula	C53 H86 Si2 Yb2
Title of publication	Anti-Bimetallic Complexes of Divalent Lanthanides with Silylated Pentalene and Cyclooctatetraenyl Bridging Ligands as Molecular Models for Lanthanide-Based Polymers
Authors of publication	Summerscales, Owen T.; Jones, Simon C.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	20
Pages of publication	5896
a	8.2612 ± 0.0001 Å
b	17.42 ± 0.0004 Å
c	17.7584 ± 0.0003 Å
α	90°
β	94.206 ± 0.001°
γ	90°
Cell volume	2548.73 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1.351
Diffraction radiation probe	x-ray
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
178588 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/99.	4069941.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069941.cif
40522	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069941 via cif-deposit CGI script.	4069941.cif