Crystallography Open Database

Information card for entry 4344952

Preview

Coordinates	4344952.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Acetamidinium Tin Iodide
Formula	C2 H7 I3 N2 Sn
Calculated formula	C2 H7 I3 N2 Sn
SMILES	[Sn](I)(I)[I-].C(=[NH2+])(C)N
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	12.7484 ± 0.0005 Å
b	9.2801 ± 0.0004 Å
c	14.7064 ± 0.0006 Å
α	90°
β	112.211 ± 0.003°
γ	90°
Cell volume	1610.76 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1368
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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.	4344952.cif
189545	2017-01-01	cif/ Adding structures of 4344952, 4344953, 4344954 via cif-deposit CGI script.	4344952.cif