Crystallography Open Database

Information card for entry 4132096

4132095 << 4132096 >> 4132097

Preview

Coordinates	4132096.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(butylammonium) cesium heptabromoargentobismuthate
Formula	C8 H24 Ag Bi Br7 Cs N2
Calculated formula	C8 H24 Ag Bi Br7 Cs N2
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	8.0848 ± 0.0003 Å
b	7.9801 ± 0.0003 Å
c	19.8422 ± 0.0008 Å
α	90°
β	101.755 ± 0.002°
γ	90°
Cell volume	1253.32 ± 0.08 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0317
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6888 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
242138 (current)	2019-11-26	cif/ Adding structures of 4132096 via cif-deposit CGI script.	4132096.cif