Crystallography Open Database

Information card for entry 4002984

Preview

Coordinates	4002984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H6 Br4 Cs N3 Sn
Calculated formula	C H6 Br4 Cs N3 Sn
Title of publication	Guanidinium and Mixed Cesium-Guanidinium Tin(II) Bromides: Effects of Quantum Confinement and Out-of-Plane Octahedral Tilting.
Authors of publication	Nazarenko, Olga; Kotyrba, Martin R.; Yakunin, Sergii; Wörle, Michael; Benin, Bogdan M.; Rainò, Gabriele; Krumeich, Frank; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Kovalenko, Maksym V.
Journal of publication	Chemistry of materials : a publication of the American Chemical Society
Year of publication	2019
Journal volume	31
Journal issue	6
Pages of publication	2121 - 2129
a	6.0112 ± 0.001 Å
b	11.5363 ± 0.0018 Å
c	17.342 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1202.6 ± 0.3 Å³
Cell temperature	250 K
Ambient diffraction temperature	250 K
Number of distinct elements	6
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Residual factor for all reflections	0.0279
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.053
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
220408 (current)	2019-10-29	cif/ Adding structures of 4002984 via cif-deposit CGI script.	4002984.cif