Crystallography Open Database

Information card for entry 4513523

Preview

Coordinates	4513523.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	gitti12
Formula	C3.097 I1.548 N0.516 O0.774 Pb0.516
Calculated formula	C3.09677 I1.54839 N0.516129 O0.774194 Pb0.516129
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	21.194 ± 0.0002 Å
b	40.161 ± 0.0006 Å
c	8.023 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	6829 ± 1.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	1.0303
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
278046 (current)	2022-09-21	cod/ Updated space group information using the 'cif_filter' program.	4513523.cif
154583	2015-09-05	cif/ Updating files of 4513520, 4513521, 4513522, 4513523 Original log message: Adding full bibliography for 4513520--4513523.cif.	4513523.cif
153430	2015-08-15	cif/ Adding structures of 4513523 via cif-deposit CGI script.	4513523.cif