Crystallography Open Database

Information card for entry 7210075

Preview

Coordinates	7210075.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	guanidinium iodide
Formula	C H6 I N3
Calculated formula	C H6 I N3
Title of publication	Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide
Authors of publication	Szafrański, Marek; Jarek, Marcin
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	23
Pages of publication	4617
a	5.23783 ± 0.00009 Å
b	7.54922 ± 0.00014 Å
c	6.98292 ± 0.00013 Å
α	90°
β	96.7315 ± 0.0017°
γ	90°
Cell volume	274.212 ± 0.009 Å³
Cell temperature	360 ± 0.1 K
Ambient diffraction temperature	360 ± 0.1 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0563
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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