Crystallography Open Database

Information card for entry 4500902

Preview

Coordinates	4500902.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	propoxo-(4-methoxysalicylaldehyde-4-phenylthiosemicarbazonato(2-))- oxo-vanadium(V)
Formula	C18 H20 N3 O4 S V
Calculated formula	C18 H20 N3 O4 S V
Title of publication	Conformational Diversity of Thiosemicarbazonatovanadium(V) Complexes in the Solid State: From Polymorphism to Isostructurality
Authors of publication	Rubčić, Mirta; Milić, Dalibor; Pavlović, Gordana; Cindrić, Marina
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5227
a	9.7545 ± 0.0011 Å
b	12.9941 ± 0.0014 Å
c	30.452 ± 0.003 Å
α	88.183 ± 0.008°
β	80.838 ± 0.009°
γ	89.875 ± 0.009°
Cell volume	3808.6 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1442
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.195
Weighted residual factors for all reflections included in the refinement	0.2379
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
179540 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/09.	4500902.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500902.cif
34676	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500898, 4500899, 4500900, 4500901, 4500902, 4500903 via cif-deposit CGI script.	4500902.cif