Crystallography Open Database

Information card for entry 4070564

Preview

Coordinates	4070564.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Arene-Y(CH2SiMe3)2.THF
Formula	C32 H47 O Si2 Y
Calculated formula	C32 H47 O Si2 Y
SMILES	[c]12([c]3([c]4([c]56[c]1(c1ccccc1c1ccccc51)[Y]2346(C[Si](C)(C)C)(C[Si](C)(C)C)[O]1CCCC1)C)C)C
Title of publication	Yttrium Complexes of a Phenanthrene-Fused Cyclopentadienyl: Synthetic, Structural, and Reactivity Studies
Authors of publication	Sun, Jianlong; Berg, David J.; Twamley, Brendan
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	4
Pages of publication	683
a	11.1359 ± 0.0005 Å
b	12.7246 ± 0.0006 Å
c	12.9267 ± 0.0006 Å
α	76.003 ± 0.001°
β	74.189 ± 0.001°
γ	64.557 ± 0.001°
Cell volume	1574.97 ± 0.13 Å³
Cell temperature	86 ± 2 K
Ambient diffraction temperature	86 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178594 (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 4/07/05.	4070564.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070564.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070564.cif
42560	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070564 via cif-deposit CGI script.	4070564.cif