Crystallography Open Database

Information card for entry 7703333

Preview

Coordinates	7703333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H42 K2.69 N6 O27.48 V3
Calculated formula	C28 H41 K2.695 N6 O27.507 V3
Title of publication	Trinuclear vanadium(iv) and vanadium(v) complexes derived from 2,4,6-triacetylphloroglucinol and study of their peroxidase mimicking activity.
Authors of publication	Maurya, Mannar R.; Tomar, Reshu; Avecilla, Fernando; Ribeiro, Nádia; Carvalho, M Fernanda N N; Kuznetsov, Maxim L.; Correia, Isabel; Pessoa, João Costa
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	8
Pages of publication	2589 - 2609
a	12.3971 ± 0.001 Å
b	14.4307 ± 0.0011 Å
c	14.4835 ± 0.0011 Å
α	99.742 ± 0.004°
β	106.683 ± 0.004°
γ	106.122 ± 0.004°
Cell volume	2295.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1798
Weighted residual factors for all reflections included in the refinement	0.1909
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
248923 (current)	2020-03-05	cif/ Updating files of 7703333, 7703334, 7703335 Original log message: Adding full bibliography for 7703333--7703335.cif.	7703333.cif
247073	2020-01-22	cif/ Adding structures of 7703333, 7703334, 7703335 via cif-deposit CGI script.	7703333.cif