Crystallography Open Database

Information card for entry 4072192

Preview

Coordinates	4072192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H80 Cl8 O4 P4 Zr2
Calculated formula	C70 H80 Cl8 O4 P4 Zr2
Title of publication	Zirconium Complexes Containing Tetradentate O,P,P,O Ligands: Ethylene and Propylene Polymerization Studies
Authors of publication	Long, Richard J.; Jones, David J.; Gibson, Vernon C.; White, Andrew J. P.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	22
Pages of publication	5960
a	25.638 ± 0.003 Å
b	13.5433 ± 0.0015 Å
c	23.532 ± 0.003 Å
α	90°
β	115.018 ± 0.011°
γ	90°
Cell volume	7404.2 ± 1.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
178610 (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 4/07/21.	4072192.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072192.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072192.cif
44283	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072190, 4072191, 4072192 via cif-deposit CGI script.	4072192.cif