Crystallography Open Database

Information card for entry 7218896

Preview

Coordinates	7218896.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	LThZr(OBn)2
Formula	C28.08 H35.05 N O2 S Zr0.5
Calculated formula	C28.067 H35.047 N O2 S1.001 Zr0.5
Title of publication	Comparative Study of Ring-Opening Polymerization of L-Lactide and ε-Caprolactone Using Zirconium Hexadentate Bis(aminophenolate) Complexes as Catalysts
Authors of publication	Ou, Hsiu-Wei; Chiang, Michael, Y.; Vandavasi, Jaya Kishore; Lu, Wei-Yi; Chen, Yen-Jen; Tseng, Hsi-Ching; Lai, Yi-Chun; Chen, Hsuan-Ying
Journal of publication	RSC Adv.
Year of publication	2014
a	18.287 ± 0.0005 Å
b	11.7537 ± 0.0004 Å
c	24.496 ± 0.0008 Å
α	90°
β	92.017 ± 0.003°
γ	90°
Cell volume	5261.9 ± 0.3 Å³
Cell temperature	112.8 ± 0.2 K
Ambient diffraction temperature	112.8 ± 0.2 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	0.0514
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7218896.cif
127881	2014-11-25	cif/ Adding structures of 7218895, 7218896, 7218897 via cif-deposit CGI script.	7218896.cif