Crystallography Open Database

Information card for entry 4513522

Preview

Coordinates	4513522.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Giti22
Formula	C2 I3 N4 O2 Pb
Calculated formula	C2 I3 N4 O2 Pb
Title of publication	Amide-Templated Iodoplumbates: Extending Lead-Iodide Based Hybrid Semiconductors
Authors of publication	Eppel, Sagi; Fridman, Natalia; Frey, Gitti
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	9
Pages of publication	4363
a	4.637 ± 0.0002 Å
b	11.112 ± 0.0009 Å
c	13.46 ± 0.001 Å
α	71.462 ± 0.003°
β	80.868 ± 0.005°
γ	84.288 ± 0.005°
Cell volume	648.33 ± 0.08 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1543
Weighted residual factors for all reflections included in the refinement	0.1564
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
154583 (current)	2015-09-05	cif/ Updating files of 4513520, 4513521, 4513522, 4513523 Original log message: Adding full bibliography for 4513520--4513523.cif.	4513522.cif
153429	2015-08-15	cif/ Adding structures of 4513522 via cif-deposit CGI script.	4513522.cif