Crystallography Open Database

Information card for entry 7212007

7212006 << 7212007 >> 7212008

Preview

Coordinates	7212007.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(6-iodohexylammonium)tetraiodoplumbste(ii)
Chemical name	bis(6-iodohexylammonium)tetraiodoplumbste(II)
Formula	C12 H30 I6 N2 Pb
Calculated formula	C12 H30 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	9.2206 ± 0.0004 Å
b	8.8513 ± 0.0004 Å
c	31.9795 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2610 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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.	7212007.cif
92532	2014-01-12	cif/ Adding structures of 7212001, 7212002, 7212003, 7212004, 7212005, 7212006, 7212007, 7212008, 7212009, 7212010 via cif-deposit CGI script.	7212007.cif