Crystallography Open Database

Information card for entry 4069937

Preview

Coordinates	4069937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H86 Si2 Sm2
Calculated formula	C53 H78 Si2 Sm2
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	7.824 ± 0.0002 Å
b	17.3596 ± 0.0005 Å
c	18.6606 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2534.51 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	59
Hermann-Mauguin space group symbol	P n m m :2
Hall space group symbol	-P 2c 2bc
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	4069937.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069937.cif
40518	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069937 via cif-deposit CGI script.	4069937.cif