Crystallography Open Database

Information card for entry 4127221

Preview

Coordinates	4127221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 Ag Bi I8 N4 S4
Calculated formula	C24 H36 Ag Bi I8 N4 S4
Title of publication	Direct-Bandgap 2D Silver-Bismuth Iodide Double Perovskite: The Structure-Directing Influence of an Oligothiophene Spacer Cation.
Authors of publication	Jana, Manoj K.; Janke, Svenja M.; Dirkes, David J.; Dovletgeldi, Seyitliyev; Liu, Chi; Qin, Xixi; Gundogdu, Kenan; You, Wei; Blum, Volker; Mitzi, David B.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	19
Pages of publication	7955 - 7964
a	29.3654 ± 0.0014 Å
b	6.1473 ± 0.0003 Å
c	12.0494 ± 0.0006 Å
α	90°
β	92.7321 ± 0.0012°
γ	90°
Cell volume	2172.66 ± 0.18 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1634
Weighted residual factors for all reflections included in the refinement	0.1778
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
223198 (current)	2019-11-04	cif/ Updating files of 4127220, 4127221 Original log message: Adding full bibliography for 4127220--4127221.cif.	4127221.cif
215076	2019-05-13	cif/ Adding structures of 4127221 via cif-deposit CGI script.	4127221.cif