Crystallography Open Database

Information card for entry 4077476

Preview

Coordinates	4077476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H72 O4 P2 Si4 Yb
Calculated formula	C38 H72 O4 P2 Si4 Yb
Title of publication	Synthesis and Structural Characterization of the First Lanthanide(II) Cuboidal Cluster. Unexpected C−O Activation by an Unchanged Ytterbium(II) Center
Authors of publication	Clegg, William; Izod, Keith; Liddle, Stephen T.; O'Shaughness, Paul; Sheffield, Joanne M.
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	11
Pages of publication	2090
a	12.546 ± 0.005 Å
b	18.212 ± 0.004 Å
c	12.838 ± 0.008 Å
α	90°
β	118.11 ± 0.05°
γ	90°
Cell volume	2587 ± 2 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1822
Weighted residual factors for all reflections included in the refinement	0.1892
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
178663 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/74.	4077476.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077476.cif
54588	2012-04-28	cif/ Adding structures of 4077476, 4077477 via cif-deposit CGI script.	4077476.cif