Crystallography Open Database

Information card for entry 7701430

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Structure parameters

Formula	C18 H15 N4 O4 V
Calculated formula	C18 H15 N4 O4 V
Title of publication	New V(IV)O-complexes for oxidative desulfurization of refractory sulfur compounds in fuel: synthesis, structure, reactivity trend and mechanistic studies
Authors of publication	Tshentu, Zenixole; Dembaremba, Tendai; Correia, Isabel; Pessoa, João Costa; Gerber, Wilhelmus Jacobus; Kuznetsov, Maxim L.; Hosten, Eric Cyriel; Ogunlaja, Adeniyi
Journal of publication	Dalton Transactions
Year of publication	2019
a	7.2579 ± 0.0003 Å
b	13.8117 ± 0.0005 Å
c	16.298 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1633.78 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.033
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.0763
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7701430.cif
219504	2019-10-25	cif/ Adding structures of 7701429, 7701430, 7701431, 7701432 via cif-deposit CGI script.	7701430.cif