Crystallography Open Database

Information card for entry 1549184

Preview

Coordinates	1549184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H15 I3 N2 Pb
Calculated formula	C6.4998 H14.9988 I3 N2 Pb
Title of publication	Extra thermo- and water-stable one-dimensional organic-inorganic hybrid perovskite [N-methyldabconium]PbI<sub>3</sub> showing switchable dielectric behaviour, conductivity and bright yellow-green emission.
Authors of publication	Xue, Chen; Yao, Zhi-Yuan; Zhang, Jin; Liu, Wen-Long; Liu, Jian-Lan; Ren, Xiao-Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	34
Pages of publication	4321 - 4324
a	10.4821 ± 0.0003 Å
b	10.4821 ± 0.0003 Å
c	8.1053 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	771.25 ± 0.06 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 2 K
Number of distinct elements	5
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
228584 (current)	2019-11-17	cif/ Updating files of 1549184, 1549185 Original log message: Adding full bibliography for 1549184--1549185.cif.	1549184.cif
207225	2018-04-05	cif/ Adding structures of 1549184, 1549185 via cif-deposit CGI script.	1549184.cif