Crystallography Open Database

Information card for entry 7057087

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Coordinates	7057087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H50 Mo N2 O4
Calculated formula	C32 H50 Mo N2 O4
Title of publication	Oxygen atom transfer between DMSO and benzoin catalyzed by cis-dioxidomolybdenum(vi) complexes of tetradentate Mannich bases
Authors of publication	Maurya, Mannar R.; Mengesha, Bekele; Uprety, Bhawna; Jangra, Nancy; Tomar, Reshu; Avecilla, Fernando
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	8
Pages of publication	6225
a	19.0694 ± 0.0006 Å
b	19.0694 ± 0.0006 Å
c	17.1332 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	5395.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1537
Weighted residual factors for all reflections included in the refinement	0.1827
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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