Crystallography Open Database

Information card for entry 2023028

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Preview

Coordinates	2023028.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Diethylammonium dioxido{<i>Z</i>)-<i>N</i>-[(pyridin-2-yl)carbonylazanidyl]pyridine-2-carboximidato}vanadate(1-) monohydrate
Formula	C16 H22 N5 O5 V
Calculated formula	C16 H22 N5 O5 V
Title of publication	Crystal structure of di-ethyl-ammonium dioxido{<i>Z</i>)-<i>N</i>-[(pyri-din-2-yl)car-bon-yl-azan-idyl]pyri-dine-2-car-box-imid-ato}vana-date(1-) monohydrate.
Authors of publication	Mondal, Bipul
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 3
Pages of publication	277 - 280
a	7.685 ± 0.0004 Å
b	9.4135 ± 0.0004 Å
c	13.9147 ± 0.0007 Å
α	105.609 ± 0.002°
β	101.103 ± 0.002°
γ	96.253 ± 0.002°
Cell volume	937.5 ± 0.08 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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