Crystallography Open Database

Information card for entry 4313317

Preview

Coordinates	4313317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H16 I4 N2 Sn
Calculated formula	C5 I4 N2 Sn
Title of publication	[(CH3)3NCH2CH2NH3]SnI4: A Layered Perovskite with Quaternary/Primary Ammonium Dications and Short Interlayer Iodine-Iodine Contacts
Authors of publication	Zhengtao Xu; David B. Mitzi; David R. Medeiros
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	1400 - 1402
a	12.6017 ± 0.001 Å
b	20.2573 ± 0.0016 Å
c	12.5048 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3192.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
179191 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/33.	4313317.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313317.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313317.cif
6386	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313317 via cif-deposit CGI script.	4313317.cif