Crystallography Open Database

Information card for entry 3000278

Preview

No preview available: structure is on hold until 2021-08-08

Coordinates	Coordinates are not available: structure is on hold until 2021-08-08

Structure parameters

Chemical name	4,7-diiodo-2-methylbenzothiazole
Formula	C8 H5 I2 N S
Authors of publication	Erik Rakovský; Hrobárik, Peter
Journal of publication	To be published
a	13.169 ± 0.0006 Å
b	4.2536 ± 0.0003 Å
c	19.0445 ± 0.0009 Å
α	90°
β	102.592 ± 0.004°
γ	90°
Cell volume	1041.13 ± 0.1 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.56083 Å
Diffraction radiation type	AgKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.