Crystallography Open Database

Information card for entry 7716671

Preview

Coordinates	7716671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H14 I3 N Sn
Calculated formula	C9 H14 I3 N Sn
SMILES	I[Sn](I)(I)[I][Sn](I)I.[NH3+][C@H](CC)c1ccccc1.[NH3+][C@H](CC)c1ccccc1
Title of publication	Tuning the dimensionality in chiral and racemic organic/tin hybrids with halides.
Authors of publication	Caussin, Louis; Jouaiti, Abdelaziz; Chartrand, Daniel; Skene, W. G.; Ferlay, Sylvie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	30
Pages of publication	12755 - 12763
a	8.5559 ± 0.0002 Å
b	8.6602 ± 0.0002 Å
c	20.3328 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1506.58 ± 0.07 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0279
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7716671.cif
293867	2024-08-05	cif/ Updating files of 7716668, 7716669, 7716670, 7716671, 7716672, 7716673 Original log message: Adding full bibliography for 7716668--7716673.cif.	7716671.cif
293477	2024-07-20	cif/ Adding structures of 7716668, 7716669, 7716670, 7716671, 7716672, 7716673 via cif-deposit CGI script.	7716671.cif