Crystallography Open Database

Information card for entry 7044267

Preview

Coordinates	7044267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 Cl2 Mo N5 O2
Calculated formula	C23 H19 Cl2 Mo N5 O2
SMILES	[Mo]1234(Cl)(Cl)[n]5c(cccc5C(=[N]1N=C(O4)c1ccccc1)C)C(=[N]2N=C(O3)c1ccccc1)C
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	8.5326 ± 0.0008 Å
b	14.1129 ± 0.0014 Å
c	19.7994 ± 0.0019 Å
α	90°
β	99.368 ± 0.002°
γ	90°
Cell volume	2352.4 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
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	0.0567
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	7044267.cif