Crystallography Open Database

Information card for entry 4111808

Preview

Coordinates	4111808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 O Si2 Zr
Calculated formula	C37 H54 O Si2 Zr
Title of publication	Ligand-Induced Haptotropic Rearrangements in Bis(indenyl)zirconium Sandwich Complexes
Authors of publication	Christopher A. Bradley; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	10291 - 10304
a	11.6523 ± 0.0018 Å
b	19.856 ± 0.003 Å
c	15.699 ± 0.003 Å
α	90°
β	102.833 ± 0.005°
γ	90°
Cell volume	3541.5 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1018
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.1738
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
178889 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/18.	4111808.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111808.cif
63420	2012-08-01	cif/ Adding structures of 4111808 via cif-deposit CGI script.	4111808.cif