Crystallography Open Database

Information card for entry 1553093

Preview

Coordinates	1553093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H53 Cl17 Mo2 N4 O4
Calculated formula	C41 H53 Cl17 Mo2 N4 O4
Title of publication	Oxidomolybdenum complexes for acid catalysis using alcohols as solvents and reactants
Authors of publication	Gomes, Ana C.; Neves, Patrícia; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn
Journal of publication	Catalysis Science & Technology
Year of publication	2016
Journal volume	6
Journal issue	13
Pages of publication	5207
a	58.3972 ± 0.0004 Å
b	58.3972 ± 0.0004 Å
c	58.3972 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	199148 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	228
Hermann-Mauguin space group symbol	F d -3 c :2
Hall space group symbol	-F 4ud 2vw 3
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1751
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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