Crystallography Open Database

Information card for entry 4513520

Preview

Coordinates	4513520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 I9 N6 O6 Pb3
Calculated formula	C30 I9 N6 O6 Pb3
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	11.553 ± 0.006 Å
b	19.825 ± 0.003 Å
c	25.184 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5768 ± 3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0826
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.1901
Weighted residual factors for all reflections included in the refinement	0.1954
Goodness-of-fit parameter for all reflections included in the refinement	1.0513
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.	4513520.cif
154583	2015-09-05	cif/ Updating files of 4513520, 4513521, 4513522, 4513523 Original log message: Adding full bibliography for 4513520--4513523.cif.	4513520.cif
153427	2015-08-15	cif/ Adding structures of 4513520 via cif-deposit CGI script.	4513520.cif