Crystallography Open Database

Information card for entry 4067279

Preview

Coordinates	4067279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H53 O Si4 Y
Calculated formula	C27 H53 O Si4 Y
SMILES	[Y]1234([O]5CCCC5)([c]56cccc[c]46[c]3([Si](C)(C)C)[cH]2[c]15[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Half-Sandwich Indenyl Rare Earth Metal Dialkyl Complexes: Syntheses, Structures, and Catalytic Activities of (1,3-(SiMe3)2C9H5)Ln(CH2SiMe3)2(THF)
Authors of publication	Xu, Xin; Chen, Yaofeng; Feng, Jian; Zou, Gang; Sun, Jie
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	3
Pages of publication	549
a	14.219 ± 0.003 Å
b	16.076 ± 0.003 Å
c	15.857 ± 0.003 Å
α	90°
β	93.051 ± 0.004°
γ	90°
Cell volume	3619.5 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1541
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1562
Weighted residual factors for all reflections included in the refinement	0.1744
Goodness-of-fit parameter for all reflections included in the refinement	0.816
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
178563 (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 4/06/72.	4067279.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067279.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067279.cif
34146	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067279, 4067280, 4067281 via cif-deposit CGI script.	4067279.cif