Crystallography Open Database

Information card for entry 4069938

Preview

Coordinates	4069938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H108 O2 Si2 Sm2
Calculated formula	C60 H108 O2 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	12.9282 ± 0.0003 Å
b	14.3909 ± 0.0005 Å
c	18.0915 ± 0.0005 Å
α	90°
β	93.106 ± 0.002°
γ	90°
Cell volume	3360.95 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.092
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	4069938.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069938.cif
40519	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069938 via cif-deposit CGI script.	4069938.cif