Crystallography Open Database

Information card for entry 7054467

Preview

Coordinates	7054467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 Mo N2 O7
Calculated formula	C17 H18 Mo N2 O7
SMILES	[Mo]12(=O)(=O)(Oc3c(cccc3OC)C=[N]2N=C(c2ccc(cc2)O)O1)[OH]CC
Title of publication	Dioxomolybdenum(vi) and dioxotungsten(vi) complexes chelated with the ONO tridentate hydrazone ligand: synthesis, structure and catalytic epoxidation activity
Authors of publication	Vrdoljak, Višnja; Pisk, Jana; Agustin, Dominique; Novak, Predrag; Parlov Vuković, Jelena; Matković-Čalogović, Dubravka
Journal of publication	New J. Chem.
Year of publication	2014
Journal volume	38
Journal issue	12
Pages of publication	6176
a	7.0077 ± 0.0003 Å
b	27.0442 ± 0.0016 Å
c	9.784 ± 0.0005 Å
α	90°
β	102.138 ± 0.004°
γ	90°
Cell volume	1812.79 ± 0.16 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0648
Goodness-of-fit parameter for all reflections included in the refinement	0.907
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180098 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/44.	7054467.cif
128414	2014-12-06	cif/ Updating files of 7054467, 7054468, 7054469, 7054470, 7054471 Original log message: Adding full bibliography for 7054467--7054471.cif.	7054467.cif
124956	2014-10-07	cif/ Adding structures of 7054467, 7054468, 7054469, 7054470, 7054471 via cif-deposit CGI script.	7054467.cif