Crystallography Open Database

Information card for entry 4330397

Preview

Coordinates	4330397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H56 Mo N2 O6
Calculated formula	C36 H56 Mo N2 O6
Title of publication	Molybdenum(VI) Dioxo Complexes Employing Schiff Base Ligands with an Intramolecular Donor for Highly Selective Olefin Epoxidation
Authors of publication	Martina E. Judmaier; Christof Holzer; Manuel Volpe; Nadia C. Mösch-Zanetti
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9956 - 9966
a	31.098 ± 0.003 Å
b	10.1937 ± 0.0008 Å
c	11.9756 ± 0.0009 Å
α	90°
β	107.044 ± 0.002°
γ	90°
Cell volume	3629.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0225
Residual factor for significantly intense reflections	0.0221
Weighted residual factors for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.0579
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4330397.html