Crystallography Open Database

Information card for entry 7044652

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Coordinates	7044652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H7 I4 N2 Sb
Calculated formula	C4 H7 I4 N2 Sb
Title of publication	The lone-pair-electron-driven phase transition and order-disorder processes in thermochromic (2-MIm)SbI4 organic-inorganic hybrid
Authors of publication	Gągor, Anna; Banach, Grzegorz; Węławik, Magdalena; Piecha-Bisiorek, Anna; Jakubas, Ryszard
Journal of publication	Dalton Transactions
Year of publication	2017
a	13.5504 ± 0.0008 Å
b	12.8989 ± 0.0008 Å
c	7.8275 ± 0.0004 Å
α	90°
β	94.392 ± 0.006°
γ	90°
Cell volume	1364.11 ± 0.14 Å³
Cell temperature	330 ± 2 K
Ambient diffraction temperature	330 ± 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	0.0309
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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