Crystallography Open Database

Information card for entry 4329205

Preview

Coordinates	4329205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H118 O4 S4 Zr
Calculated formula	C86 H118 O4 S4 Zr
Title of publication	Synthesis, Characterization, and Lactide Polymerization Activity of Group 4 Metal Complexes Containing Two Bis(phenolate) Ligands
Authors of publication	Andreas Sauer; Jean-Charles Buffet; Thomas P. Spaniol; Haruki Nagae; Kazushi Mashima; Jun Okuda
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5764 - 5770
a	20.7803 ± 0.001 Å
b	14.9322 ± 0.0007 Å
c	27.1671 ± 0.0013 Å
α	90°
β	106.463 ± 0.001°
γ	90°
Cell volume	8084.2 ± 0.7 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0618
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179395 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/92.	4329205.cif
78245	2013-04-01	cif/ Adding structures of 4329205 via cif-deposit CGI script.	4329205.cif