Crystallography Open Database

Information card for entry 1558195

Preview

Coordinates	1558195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H36 Ag Br12 In N4
Calculated formula	C12 H36 Ag Br12 In N4
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	8.4965 ± 0.0005 Å
b	7.8419 ± 0.0005 Å
c	26.1413 ± 0.0017 Å
α	90°
β	90.318 ± 0.002°
γ	90°
Cell volume	1741.73 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.0684
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1573
Weighted residual factors for all reflections included in the refinement	0.1641
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
256034 (current)	2020-09-06	cif/ Updating files of 1558195, 1558196, 1558197, 1558198 Original log message: Adding full bibliography for 1558195--1558198.cif.	1558195.cif
254932	2020-08-06	cif/ Updating files of 1558195, 1558196, 1558197, 1558198 Original log message: Adding full bibliography for 1558195--1558198.cif.	1558195.cif
252957	2020-06-06	cif/ Adding structures of 1558195, 1558196, 1558197, 1558198 via cif-deposit CGI script.	1558195.cif