Crystallography Open Database

Information card for entry 4344951

Preview

Coordinates	4344951.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Diguanidinium Tin Iodide
Formula	C2 H12 I4 N6 Sn
Calculated formula	C2 H12 I4 N6 Sn
Title of publication	Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.
Authors of publication	Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	1
Pages of publication	56 - 73
a	13.0471 ± 0.001 Å
b	13.5581 ± 0.0015 Å
c	9.3478 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1653.6 ± 0.3 Å³
Cell temperature	400 ± 2 K
Ambient diffraction temperature	400 ± 2 K
Number of distinct elements	5
Space group number	53
Hermann-Mauguin space group symbol	P m n a
Hall space group symbol	-P 2ac 2
Residual factor for all reflections	0.1414
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for all reflections included in the refinement	0.928
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
191346 (current)	2017-02-04	cif/ Updating files of 4344944, 4344945, 4344946, 4344947, 4344948, 4344949, 4344950, 4344951, 4344952, 4344953, 4344954, 4344955, 4344956 Original log message: Adding full bibliography for 4344944--4344956.cif.	4344951.cif
189544	2017-01-01	cif/ Adding structures of 4344949, 4344950, 4344951 via cif-deposit CGI script.	4344951.cif