Crystallography Open Database

Information card for entry 1540630

Preview

Coordinates	1540630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H182 Mo2 N4 O4
Calculated formula	C112 H154 Mo2 N4 O4
SMILES	[Mo]1(Oc2c(cc(cc2C(c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)c1cccc(c1)C1c2c(O[Mo](Oc3c(cc(cc13)C(C)(C)C)C(C)(C)C)(=Nc1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C)c(cc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(=Nc1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C
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	40.815 ± 0.003 Å
b	17.0938 ± 0.0011 Å
c	16.3488 ± 0.0011 Å
α	90°
β	94.82 ± 0.001°
γ	90°
Cell volume	11365.9 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0619
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
170836 (current)	2015-12-06	cif/ Adding structures of 1540626, 1540627, 1540628, 1540629, 1540630, 1540631, 1540632 via cif-deposit CGI script.	1540630.cif