Crystallography Open Database

Information card for entry 7212002

7212001 << 7212002 >> 7212003

Preview

Coordinates	7212002.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(3-propanolammonium)tetraiodoplumbate(ii)
Chemical name	bis(3-propanolammonium)tetraiodoplumbate(II)
Formula	C6 H20 I4 N2 O2 Pb
Calculated formula	C6 H20 I4 N2 O2 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	10.631 ± 0.003 Å
b	9.199 ± 0.003 Å
c	9.207 ± 0.003 Å
α	90°
β	93.057 ± 0.006°
γ	90°
Cell volume	899.1 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0311
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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.	7212002.cif
92532	2014-01-12	cif/ Adding structures of 7212001, 7212002, 7212003, 7212004, 7212005, 7212006, 7212007, 7212008, 7212009, 7212010 via cif-deposit CGI script.	7212002.cif