Crystallography Open Database

Information card for entry 7246948

Preview

Coordinates	7246948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H38 Cl10 N6 O Pb2
Calculated formula	C12 H38 Cl10 N6 O Pb2
SMILES	[Pb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl][Pb](Cl)(Cl)(Cl)(Cl)Cl.[NH+]1(CC[NH3+])CC[NH2+]CC1.[NH+]1(CC[NH2+]CC1)CC[NH3+].O
Title of publication	Enhanced stability and tunable photoluminescence in Mn<sup>2+</sup>-doped one-dimensional hybrid lead halide perovskites for high-performance white light emitting diodes.
Authors of publication	Zhang, Jie; Sun, Kai-Qi; Zhang, Zhong-Hui; Wang, Ri-Cheng; Lin, Zi-Han; Lei, Xiao-Wu; Wang, Yu-Yin; Ju, Ping; He, Yuan-Chun
Journal of publication	RSC advances
Year of publication	2023
Journal volume	13
Journal issue	28
Pages of publication	19039 - 19045
a	13.4649 ± 0.0006 Å
b	17.1481 ± 0.0008 Å
c	13.2881 ± 0.0006 Å
α	90°
β	96.195 ± 0.0006°
γ	90°
Cell volume	3050.3 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0322
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0488
Weighted residual factors for all reflections included in the refinement	0.0511
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
284678 (current)	2023-06-29	cif/ Adding structures of 7246948 via cif-deposit CGI script.	7246948.cif