Crystallography Open Database

Information card for entry 7231691

Preview

Coordinates	7231691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H13 I2 N3 S2
Calculated formula	C12 H13 I2 N3 S2
Title of publication	Magnetic ordering in a vanadium-organic coordination polymer using a pyrrolo[2,3-d:5,4-d′]bis(thiazole)-based ligand
Authors of publication	Getmanenko, Yulia A.; Mullins, Christopher S.; Nesterov, Vladimir N.; Lake, Stephanie; Risko, Chad; Johnston-Halperin, Ezekiel
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	63
Pages of publication	36223
a	16.8767 ± 0.0002 Å
b	33.8581 ± 0.0005 Å
c	4.4165 ± 0.0001 Å
α	90°
β	91.65 ± 0.001°
γ	90°
Cell volume	2522.6 ± 0.07 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	8
Hermann-Mauguin space group symbol	C 1 m 1
Hall space group symbol	C -2y
Residual factor for all reflections	0.0187
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0478
Weighted residual factors for all reflections included in the refinement	0.0479
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
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
211659 (current)	2018-10-26	cif/ Adding structures of 7231690, 7231691, 7231692 via cif-deposit CGI script.	7231691.cif