Crystallography Open Database

Information card for entry 1566107

Preview

Coordinates	1566107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 I3 N
Calculated formula	C8 H12 I3 N
Title of publication	Electronic mobility and crystal structures of 2,5-dimethylanilinium triiodide and tin-based organic-inorganic hybrid compounds
Authors of publication	Kamminga, Machteld E.; Gélvez-Rueda, María C.; Maheshwari, Sudeep; van Droffelaar, Irene S.; Baas, Jacob; Blake, Graeme R.; Grozema, Ferdinand C.; Palstra, Thomas T.M.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2019
Journal volume	270
Pages of publication	593 - 600
a	9.3195 ± 0.0008 Å
b	6.6052 ± 0.0006 Å
c	11.0657 ± 0.0009 Å
α	90°
β	114.095 ± 0.003°
γ	90°
Cell volume	621.82 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0205
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.0518
Goodness-of-fit parameter for all reflections included in the refinement	1.195
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
272208 (current)	2022-01-24	cif/ Adding structures of 1566106, 1566107 via cif-deposit CGI script.	1566107.cif