Crystallography Open Database

Information card for entry 7714985

Preview

Coordinates	7714985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H14 Br4 N2 Sn
Calculated formula	C4 H14 Br4 N2 Sn
SMILES	[Sn](Br)(Br)(Br)(Br)[Br][Sn](Br)(Br)Br.[NH3+]CCCC[NH3+].[NH3+]CCCC[NH3+]
Title of publication	[NH<sub>3</sub>(CH<sub>2</sub>)<sub>4</sub>NH<sub>3</sub>]SnX<sub>4</sub> (X = Br, I): Dion-Jacobson type 2-D perovskites with short interlayer spacing.
Authors of publication	Vishwajith, Nagale S.; Sharma, Mridul Krishna; Jain, Isha; Vishnoi, Pratap
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	6
Pages of publication	2465 - 2470
a	11.6179 ± 0.0005 Å
b	11.8042 ± 0.0005 Å
c	19.4177 ± 0.0008 Å
α	90°
β	100.415 ± 0.002°
γ	90°
Cell volume	2619.07 ± 0.19 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
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	0.0956
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
290171 (current)	2024-03-04	cif/ Updating files of 7714983, 7714984, 7714985 Original log message: Adding full bibliography for 7714983--7714985.cif.	7714985.cif
289090	2024-01-16	cif/ Adding structures of 7714983, 7714984, 7714985 via cif-deposit CGI script.	7714985.cif