Crystallography Open Database

Information card for entry 4002983

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Coordinates	4002983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H12 Br4 N6 Sn
Calculated formula	C2 H12 Br4 N6 Sn
SMILES	[Sn](Br)(Br)([Br-])[Br-].NC(=[NH2+])N.[NH2+]=C(N)N
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	32.082 ± 0.003 Å
b	8.3226 ± 0.0006 Å
c	10.4238 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2783.2 ± 0.4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0674
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation probe	x-ray
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
220407 (current)	2019-10-29	cif/ Adding structures of 4002983 via cif-deposit CGI script.	4002983.cif