Crystallography Open Database

Information card for entry 4513521

Preview

Coordinates	4513521.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Giti29
Formula	C6 I3 N O2 Pb
Calculated formula	C6 I3 N 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	22.299 ± 0.005 Å
b	7.964 ± 0.005 Å
c	8.85 ± 0.0017 Å
α	90°
β	113.377 ± 0.01°
γ	90°
Cell volume	1442.7 ± 1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0205
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0475
Weighted residual factors for all reflections included in the refinement	0.0476
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4513521.cif
154583	2015-09-05	cif/ Updating files of 4513520, 4513521, 4513522, 4513523 Original log message: Adding full bibliography for 4513520--4513523.cif.	4513521.cif
153428	2015-08-15	cif/ Adding structures of 4513521 via cif-deposit CGI script.	4513521.cif