Crystallography Open Database

Information card for entry 7044266

Preview

Coordinates	7044266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Cl5 Mo N5 O2
Calculated formula	C24 H20 Cl5 Mo N5 O2
SMILES	[Mo]1234(Cl)(OC(=N[N]3=C(c3[n]1c(ccc3)C(=[N]4N=C(O2)c1ccccc1)C)C)c1ccccc1)Cl.ClC(Cl)Cl
Title of publication	New Mo(IV) complex with the pentadentate (N3O2) Schiff-base ligand: The first non-cyanide pentagonal-bipyramidal paramagnetic 4d complex
Authors of publication	Mironov, Vladimir Sergeevich; Bazhenova, Tamara A.; Manakin, Yuriy; Lyssenko, Konstantin; Talantsev, Artem Dmitrievich; Yagubskii, Eduard B.
Journal of publication	Dalton Trans.
Year of publication	2017
a	13.494 ± 0.003 Å
b	13.523 ± 0.003 Å
c	14.425 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2632.3 ± 1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
201016 (current)	2017-09-19	cif/ Adding structures of 7044266, 7044267 via cif-deposit CGI script.	7044266.cif