Crystallography Open Database

Information card for entry 7133248

Preview

Coordinates	7133248.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H36 Ag Br11.74 Cl0.26 N4 Sb
Calculated formula	C12 H36 Ag Br11.736 Cl0.264 N4 Sb
Title of publication	Above Room Temperature Ferroelectric Two-Dimensional Halide Double Perovskite with Direction Dependent Properties
Authors of publication	Rajput, Shubham Ajaykumar; Sudhadevi Antharjanam, P. K.; Chandiran, Aravind Kumar
Journal of publication	Chemical Communications
Year of publication	2024
a	8.6321 ± 0.0012 Å
b	7.8942 ± 0.0013 Å
c	25.961 ± 0.004 Å
α	90°
β	90.123 ± 0.006°
γ	90°
Cell volume	1769.1 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7133248.html