Crystallography Open Database

Information card for entry 7018938

Preview

Coordinates	7018938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17.5 N3 O5.75 V
Calculated formula	C20 H16 N3 O5.75 V
Title of publication	Synthesis, structural characterization and catalytic activity of a multifunctional enzyme mimetic oxoperoxovanadium(v) complex
Authors of publication	Si, Tapan K.; Paul, Shiv S.; Drew, Michael G. B.; Mukherjea, Kalyan K.
Journal of publication	Dalton Transactions
Year of publication	2012
Journal volume	41
Journal issue	19
Pages of publication	5805
a	18.367 ± 0.002 Å
b	17.309 ± 0.002 Å
c	13.316 ± 0.003 Å
α	90°
β	108.167 ± 0.016°
γ	90°
Cell volume	4022.3 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1072
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1728
Weighted residual factors for all reflections included in the refinement	0.1905
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7018938.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018938.cif
56001	2012-05-08	cif/ Adding structures of 7018938 via cif-deposit CGI script.	7018938.cif