Crystallography Open Database

Information card for entry 7058952

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Structure parameters

Formula	C15 H21 N2 O5 V
Calculated formula	C15 H21 N2 O5 V
Title of publication	DFT study on the redox behavior of two dioxovanadium(V) complexes with N2O donor Schiff base ligands and their use in catalytic oxidation of ortho-aminophenol
Authors of publication	Chattopadhyay, Shouvik; Thakur, Snehasish; Banerjee, Snehasis; Das, Saurabh
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	47
Pages of publication	18747 - 18759
a	10.6403 ± 0.0003 Å
b	11.0311 ± 0.0003 Å
c	13.4694 ± 0.0004 Å
α	90°
β	92.887 ± 0.001°
γ	90°
Cell volume	1578.95 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0412
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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