Crystallography Open Database

Information card for entry 4003950

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Coordinates	4003950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H48 Ag Bi Br8 N4
Calculated formula	C32 H48 Ag Bi Br8 N4
Title of publication	Large Cation Engineering in Two-Dimensional Silver‒Bismuth Bromide Double Perovskites
Authors of publication	Schmitz, Fabian; Horn, Jonas; Dengo, Nicola; Sedykh, Alexander E.; Becker, Jonathan; Maiworm, Elena; Bélteky, Péter; Kukovecz, Ákos; Gross, Silvia; Lamberti, Francesco; Müller-Buschbaum, Klaus; Schlettwein, Derck; Meggiolaro, Daniele; Righetto, Marcello; Gatti, Teresa
Journal of publication	Chemistry of Materials
Year of publication	2021
a	11.4661 ± 0.0005 Å
b	11.5138 ± 0.0005 Å
c	17.0237 ± 0.0008 Å
α	106.614 ± 0.0016°
β	99.6956 ± 0.0016°
γ	90.0802 ± 0.0016°
Cell volume	2119.93 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0745
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
265596 (current)	2021-05-29	cif/ Adding structures of 4003950 via cif-deposit CGI script.	4003950.cif