Crystallography Open Database

Information card for entry 7048582

Preview

Coordinates	7048582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H73 N O6 W
Calculated formula	C54 H73 N O6 W
Title of publication	Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters
Authors of publication	Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl
Journal of publication	Dalton Transactions
Year of publication	2019
a	27.3856 ± 0.0001 Å
b	27.3856 ± 0.0001 Å
c	26.848 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	20135.2 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	1.279
Diffraction radiation probe	x-ray
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
212970 (current)	2019-01-11	cif/ Adding structures of 7048573, 7048574, 7048575, 7048576, 7048577, 7048578, 7048579, 7048580, 7048581, 7048582 via cif-deposit CGI script.	7048582.cif