Crystallography Open Database

Information card for entry 1560260

Preview

Coordinates	1560260.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2(C8 H20 N), Cl0.12 I3.88 Zn
Formula	C16 H40 Cl0.12 I3.88 N2 Zn
Calculated formula	C16 H40 Cl0.124 I3.876 N2 Zn
Title of publication	Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system
Authors of publication	Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil
Journal of publication	Journal of Solid State Chemistry
Year of publication	2017
Journal volume	256
Pages of publication	60 - 66
a	13.865 ± 0.005 Å
b	13.865 ± 0.005 Å
c	14.833 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2851.5 ± 1.9 Å³
Cell temperature	333 ± 2 K
Ambient diffraction temperature	333 ± 2 K
Number of distinct elements	6
Space group number	113
Hermann-Mauguin space group symbol	P -4 21 m
Hall space group symbol	P -4 2ab
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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