Crystallography Open Database

Information card for entry 4132097

4132096 << 4132097 >> 4132098

Preview

Coordinates	4132097.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tetra(butylammonium) octabromoargentobismuthate
Formula	C16 H48 Ag Bi Br8 N4
Calculated formula	C16 H48 Ag Bi Br8 N4
Title of publication	Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>.
Authors of publication	Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	15
Pages of publication	5235 - 5240
a	8.1896 ± 0.0004 Å
b	8.0524 ± 0.0004 Å
c	26.779 ± 0.0014 Å
α	90°
β	90.049 ± 0.003°
γ	90°
Cell volume	1765.97 ± 0.15 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0694
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6888 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
242139 (current)	2019-11-26	cif/ Adding structures of 4132097 via cif-deposit CGI script.	4132097.cif