Crystallography Open Database

Information card for entry 7235734

Preview

Coordinates	7235734.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Zr
Formula	C49 H86 N2 O8 Zr2
Calculated formula	C49 H86 N2 O8 Zr2
Title of publication	Zr(iv) complexes containing salan-type ligands: synthesis, structural characterization and role as catalysts towards the polymerization of ε-caprolactone, rac-lactide, ethylene, homopolymerization and copolymerization of epoxides with CO2
Authors of publication	Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam
Journal of publication	RSC Advances
Year of publication	2015
Journal volume	5
Journal issue	36
Pages of publication	28536
a	16.8978 ± 0.0005 Å
b	13.4806 ± 0.0004 Å
c	24.3958 ± 0.0007 Å
α	90°
β	102.679 ± 0.001°
γ	90°
Cell volume	5421.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1374
Weighted residual factors for all reflections included in the refinement	0.1613
Goodness-of-fit parameter for all reflections included in the refinement	0.853
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233268 (current)	2019-11-23	cif/ Adding structures of 7235732, 7235733, 7235734 via cif-deposit CGI script.	7235734.cif