Crystallography Open Database

Information card for entry 1544657

Preview

Coordinates	1544657.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(6-iodohexylammonium) tetraiodoplumbate
Chemical name	bis(6-iodohexan-1-aminium) tetraiodoplumbate
Formula	C12 H30 I6 N2 Pb
Calculated formula	C12 H30 I6 N2 Pb
Title of publication	Decreasing the electronic confinement in layered perovskites through intercalation.
Authors of publication	Smith, Matthew D.; Pedesseau, Laurent; Kepenekian, Mikaël; Smith, Ian C.; Katan, Claudine; Even, Jacky; Karunadasa, Hemamala I.
Journal of publication	Chemical science
Year of publication	2017
Journal volume	8
Journal issue	3
Pages of publication	1960 - 1968
a	9.0651 ± 0.0011 Å
b	8.8852 ± 0.001 Å
c	33.617 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2707.7 ± 0.6 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.043
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
196369 (current)	2017-05-06	cif/ Updating files of 1544657 Original log message: Adding full bibliography for 1544657.cif.	1544657.cif
193747	2017-03-05	cif/ Updating files of 1544657 Original log message: Adding full bibliography for 1544657.cif.	1544657.cif
188637	2016-11-23	cif/ Adding structures of 1544657 via cif-deposit CGI script.	1544657.cif