Crystallography Open Database

Information card for entry 4116496

Preview

Coordinates	4116496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H24 N2 O6 S2 V
Calculated formula	C12 H24 N2 O6 S2 V
Title of publication	Stereospecific and Structure-Dependent Insulin-Mimetic Oxovanadium(IV) Complexes with N,N'-Ethylenebis(amino acids)
Authors of publication	Kawabe, Kenji; Tadokoro, Makoto; Ichimura, Akio; Kojima, Yoshitane; Takino, Toshikazu; Sakurai, Hiromu
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Journal issue	34
Pages of publication	7937 - 7938
a	7.6043 ± 0.0005 Å
b	9.049 ± 0.001 Å
c	6.7747 ± 0.0009 Å
α	99.2 ± 0.01°
β	102.186 ± 0.008°
γ	78.951 ± 0.009°
Cell volume	443.75 ± 0.08 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0382
Weighted residual factors for all reflections included in the refinement	0.0382
Goodness-of-fit parameter for all reflections included in the refinement	1.36
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4116496.cif
270160	2021-10-29	cif/4/11/64/ Updated bibliographic information in entries 4116495-4116496.	4116496.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4116496.cif
72613	2013-01-22	cif/ Adding structures of 4116496 via cif-deposit CGI script.	4116496.cif