Crystallography Open Database

Information card for entry 4329202

Preview

Coordinates	4329202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H104 Hf O4 S4
Calculated formula	C74 H104 Hf O4 S4
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	17.7598 ± 0.001 Å
b	13.1884 ± 0.0007 Å
c	14.8484 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3477.8 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	50
Hermann-Mauguin space group symbol	P b a n :2
Hall space group symbol	-P 2ab 2b
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.242
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.	4329202.cif
78242	2013-04-01	cif/ Adding structures of 4329202 via cif-deposit CGI script.	4329202.cif