Crystallography Open Database

Information card for entry 4067480

Preview

Coordinates	4067480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H50 O3 P2 W Zr2
Calculated formula	C39 H50 O3 P2 W Zr2
Title of publication	Ambiphilic Reactivity of a Phosphane-Functionalized Cycloheptatrienyl−Cyclopentadienyl Zirconium Sandwich Complex
Authors of publication	Büschel, Susanne; Daniliuc, Constantin; Jones, Peter G.; Tamm, Matthias
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	3
Pages of publication	671
a	10.8096 ± 0.0003 Å
b	11.7868 ± 0.0002 Å
c	16.4711 ± 0.0003 Å
α	94.885 ± 0.002°
β	107.504 ± 0.002°
γ	110.107 ± 0.002°
Cell volume	1837.31 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.0186
Weighted residual factors for significantly intense reflections	0.0321
Weighted residual factors for all reflections included in the refinement	0.0326
Goodness-of-fit parameter for all reflections included in the refinement	0.868
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
178565 (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 4/06/74.	4067480.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067480.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067480.cif
34210	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067478, 4067479, 4067480, 4067481 via cif-deposit CGI script.	4067480.cif