Crystallography Open Database

Information card for entry 4503566

Preview

Coordinates	4503566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5.33 H8 Br3.56 N2.67 Pb0.89
Calculated formula	C5.33333 H8 Br3.55556 N2.66667 Pb0.888889
Title of publication	New Organic‒Inorganic Perovskite Materials with Different Optical Properties Modulated by Different Inorganic Sheets
Authors of publication	Li, Yinyan; Zheng, Guoli; Lin, Cuikun; Lin, Jun
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	6
Pages of publication	1990
a	16.8125 ± 0.0009 Å
b	8.4528 ± 0.0004 Å
c	19.4257 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2760.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0752
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
179569 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/35.	4503566.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503566.cif
41633	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503566 via cif-deposit CGI script.	4503566.cif