Crystallography Open Database

Information card for entry 4066998

Preview

Coordinates	4066998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H33 O2 Y
Calculated formula	C32 H33 O2 Y
Title of publication	Reactions of Cp3Y with Benzophenone: A Simple and Efficient Method for Transformation of Unsubstituted Cyclopentadienyl to Bridgedansa-Cyclopentadienyl/Alkoxyl Ligand
Authors of publication	Li, Xiaoqing; Hong, Jianquan; Liu, Ruiting; Weng, Linhong; Zhou, Xigeng
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	20
Pages of publication	4606
a	10.4921 ± 0.0019 Å
b	18.048 ± 0.003 Å
c	14.712 ± 0.003 Å
α	90°
β	107.721 ± 0.003°
γ	90°
Cell volume	2653.7 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0841
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
178561 (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 4/06/69.	4066998.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066998.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066998.cif
34048	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066997, 4066998, 4066999, 4067000 via cif-deposit CGI script.	4066998.cif