Crystallography Open Database

Information card for entry 1558197

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Coordinates	1558197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H36 Ag Br12 N4 Tl
Calculated formula	C12 H36 Ag Br12 N4 Tl
Title of publication	Dimensional reduction of the small-bandgap double perovskite Cs<sub>2</sub>AgTlBr<sub>6</sub>.
Authors of publication	Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.
Journal of publication	Chemical science
Year of publication	2020
Journal volume	11
Journal issue	29
Pages of publication	7708 - 7715
a	8.4673 ± 0.0003 Å
b	7.8406 ± 0.0003 Å
c	26.1647 ± 0.001 Å
α	90°
β	90.312 ± 0.002°
γ	90°
Cell volume	1737.01 ± 0.11 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.7288 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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