Crystallography Open Database

Information card for entry 7218897

Preview

Coordinates	7218897.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	LBnZr(OBn)2
Formula	C60 H76 N2 O4 Zr
Calculated formula	C60 H76 N2 O4 Zr
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	18.3446 ± 0.0004 Å
b	11.8436 ± 0.0003 Å
c	24.6246 ± 0.0006 Å
α	90°
β	92.149 ± 0.002°
γ	90°
Cell volume	5346.3 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
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	0.0443
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	0.917
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
180519 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/88.	7218897.cif
127881	2014-11-25	cif/ Adding structures of 7218895, 7218896, 7218897 via cif-deposit CGI script.	7218897.cif