Crystallography Open Database

Information card for entry 4076298

Preview

Coordinates	4076298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H46 Cl2 Si3 Zr
Calculated formula	C30.664 H46 Cl2 Si3.336 Zr
Title of publication	Synthesis and Characterization of Zirconium and Iron Complexes Containing Substituted Indenyl Ligands: Evaluation of Steric and Electronic Parameters
Authors of publication	Bradley, Christopher A.; Flores-Torres, Samuel; Lobkovsky, Emil; Abruña, Hector D.; Chirik, Paul J.
Journal of publication	Organometallics
Year of publication	2004
Journal volume	23
Journal issue	22
Pages of publication	5332
a	10.4644 ± 0.0002 Å
b	18.2115 ± 0.0004 Å
c	18.2169 ± 0.0003 Å
α	90°
β	99.277 ± 0.001°
γ	90°
Cell volume	3426.23 ± 0.12 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0777
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
178651 (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 4/07/62.	4076298.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4076298.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4076298.cif
51749	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4076298 via cif-deposit CGI script.	4076298.cif