Crystallography Open Database

Information card for entry 7062614

Preview

Coordinates	7062614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 Mo2 N4 O7
Calculated formula	C26 H26 Mo2 N4 O7
SMILES	[Mo]12(O[Mo]34([NH](Cc5c(O4)cccc5)Cc4[n]3cccc4)(=O)=O)([NH](Cc3c(cccc3)O1)Cc1[n]2cccc1)(=O)=O
Title of publication	Catalytic activity of a new dioxidomolybdenum(vi) complex with a bipodal N2O-donor ligand in sulfur compound oxidation
Authors of publication	Machado, Paula M. A.; Barreto, Juliana M.; Motta, Ramon da S.; Rodrigues, José Guilherme A.; de Souza, Wladmir F.; Maldonado, Igor A. V.; Allão Cassaro, Rafael A.; dos Santos, Gustavo R. C.; Carneiro, Gabriel R. A.; Pereira, Henrique M. G.; D’Elia, Eliane; Horn, Adolfo; Lachter, Elizabeth Roditi
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	30
Pages of publication	14123 - 14133
a	11.7299 ± 0.0004 Å
b	15.2544 ± 0.0005 Å
c	14.7882 ± 0.0005 Å
α	90°
β	90.931 ± 0.001°
γ	90°
Cell volume	2645.74 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
285491 (current)	2023-08-05	cif/ Updating files of 7062614 Original log message: Adding full bibliography for 7062614.cif.	7062614.cif
285318	2023-07-22	cif/ Adding structures of 7062614 via cif-deposit CGI script.	7062614.cif