Crystallography Open Database

Information card for entry 4129208

Preview

Coordinates	4129208.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PA4AgInBr8
Formula	C12 H40 Ag Br8 In N4
Calculated formula	C12 H40 Ag Br8 In 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	24.5633 ± 0.0013 Å
b	7.7838 ± 0.0004 Å
c	8.2501 ± 0.0004 Å
α	90°
β	90.091 ± 0.002°
γ	90°
Cell volume	1577.38 ± 0.14 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1457
Weighted residual factors for all reflections included in the refinement	0.1472
Goodness-of-fit parameter for significantly intense reflections	4.3
Goodness-of-fit parameter for all reflections included in the refinement	3.75
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
231171 (current)	2019-11-22	cif/ Adding structures of 4129208 via cif-deposit CGI script.	4129208.cif