Crystallography Open Database

Information card for entry 7212005

7212004 << 7212005 >> 7212006

Preview

Coordinates	7212005.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(4-iodobutylammonium)tetraiodoplumbate(ii)
Chemical name	bis(4-iodobutylammonium)tetraiodoplumbate(II)
Formula	C8 H22 I6 N2 Pb
Calculated formula	C8 H22 I6 N2 Pb
Title of publication	Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]
Authors of publication	Lemmerer, Andreas; Billing, David G.
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	4
Pages of publication	1290
a	15.3677 ± 0.0008 Å
b	8.2431 ± 0.0004 Å
c	9.0441 ± 0.0004 Å
α	90°
β	91.905 ± 0.001°
γ	90°
Cell volume	1145.05 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0247
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.0553
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	1.215
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
180451 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/20.	7212005.cif
92532	2014-01-12	cif/ Adding structures of 7212001, 7212002, 7212003, 7212004, 7212005, 7212006, 7212007, 7212008, 7212009, 7212010 via cif-deposit CGI script.	7212005.cif