Crystallography Open Database

Information card for entry 1540631

Preview

Coordinates	1540631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H140 F10 Mo2 N8 O8
Calculated formula	C99 H132.5 F10 Mo2 N5.5 O8
Title of publication	Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability
Authors of publication	Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl
Journal of publication	Catalysts
Year of publication	2015
Journal volume	5
Journal issue	4
Pages of publication	1928
a	18.7522 ± 0.001 Å
b	22.6704 ± 0.0012 Å
c	25.8469 ± 0.0018 Å
α	79.933 ± 0.006°
β	81.162 ± 0.006°
γ	81.434 ± 0.006°
Cell volume	10605.9 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1886
Residual factor for significantly intense reflections	0.0839
Weighted residual factors for significantly intense reflections	0.1769
Weighted residual factors for all reflections included in the refinement	0.2123
Goodness-of-fit parameter for all reflections included in the refinement	0.861
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
170836 (current)	2015-12-06	cif/ Adding structures of 1540626, 1540627, 1540628, 1540629, 1540630, 1540631, 1540632 via cif-deposit CGI script.	1540631.cif