Crystallography Open Database

Information card for entry 4073202

Preview

Coordinates	4073202.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Sc{C5Me4SiMe(C4H3O-2)}(CH2SiMe3)2(THF)]
Chemical name	[Sc{C5Me4SiMe(C4H3O-2)}(CH2SiMe3)2(THF)]
Formula	C27 H47 O2 Sc Si3
Calculated formula	C27 H47 O2 Sc Si3
Title of publication	Ring-Opening of a Furyl Group Appended to the Cyclopentadienyl Ligand in Rare-Earth Metal Half-Sandwich Complexes
Authors of publication	Hitzbleck, Julia; Okuda, Jun
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	13
Pages of publication	3227
a	18.278 ± 0.01 Å
b	9.313 ± 0.005 Å
c	19.002 ± 0.01 Å
α	90°
β	103.093 ± 0.01°
γ	90°
Cell volume	3150 ± 3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0775
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1412
Weighted residual factors for all reflections included in the refinement	0.1573
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
178621 (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 4/07/32.	4073202.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073202.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073202.cif
46220	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073202, 4073203, 4073204 via cif-deposit CGI script.	4073202.cif