Crystallography Open Database

Information card for entry 7048578

Preview

Coordinates	7048578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H94 N2 O5 W
Calculated formula	C64 H94 N2 O5 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	12.2064 ± 0.0001 Å
b	18.6584 ± 0.0001 Å
c	27.3246 ± 0.0002 Å
α	90°
β	91.99 ± 0.001°
γ	90°
Cell volume	6219.48 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.025
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0579
Weighted residual factors for all reflections included in the refinement	0.0581
Goodness-of-fit parameter for all reflections included in the refinement	1.191
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.	7048578.cif