Crystallography Open Database

Information card for entry 4129206

Preview

Coordinates	4129206.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	OCA4AgBiBr8
Formula	C32 H80 Ag Bi Br8 N4
Calculated formula	C32 H80 Ag Bi Br8 N4
Title of publication	Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.
Authors of publication	Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
a	8.2024 ± 0.0007 Å
b	8.1797 ± 0.0006 Å
c	21.1217 ± 0.0018 Å
α	90°
β	101.195 ± 0.003°
γ	90°
Cell volume	1390.2 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	10
Hermann-Mauguin space group symbol	P 1 2/m 1
Hall space group symbol	-P 2y
Residual factor for all reflections	0.1223
Residual factor for significantly intense reflections	0.0919
Weighted residual factors for significantly intense reflections	0.2714
Weighted residual factors for all reflections included in the refinement	0.2752
Goodness-of-fit parameter for significantly intense reflections	5.54
Goodness-of-fit parameter for all reflections included in the refinement	4.65
Diffraction radiation probe	x-ray
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
231169 (current)	2019-11-22	cif/ Adding structures of 4129206 via cif-deposit CGI script.	4129206.cif