Crystallography Open Database

Information card for entry 1519436

1519435 << 1519436 >> 1519437

Preview

Coordinates	1519436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H20 Br4 Cl4 N2 Pb
Calculated formula	C8 H20 Br4 Cl4 N2 Pb
Title of publication	Post-synthetic halide conversion and selective halogen capture in hybrid perovskites
Authors of publication	Solis-Ibarra, D.; Smith, I. C.; Karunadasa, H. I.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	7
Pages of publication	4054
a	7.792 ± 0.003 Å
b	8.315 ± 0.003 Å
c	16.462 ± 0.006 Å
α	97.337 ± 0.005°
β	96.252 ± 0.005°
γ	90.184 ± 0.004°
Cell volume	1051.4 ± 0.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.6888 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
143354 (current)	2015-07-10	cif/ Updating files of 1519436, 1519437, 1519438 Original log message: Adding full bibliography for 1519436--1519438.cif.	1519436.cif
135805	2015-05-09	cif/ Adding structures of 1519436, 1519437, 1519438 via cif-deposit CGI script.	1519436.cif