Crystallography Open Database

Information card for entry 1568703

Preview

Coordinates	1568703.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PHTZ
Chemical name	5-phenyl-1H-tetrazole
Formula	C7 H6 N4
Calculated formula	C7 H6 N4
Title of publication	Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.
Authors of publication	Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji
Journal of publication	Materials horizons
Year of publication	2023
Journal volume	10
Journal issue	6
Pages of publication	2149 - 2159
a	9.8121 ± 0.0007 Å
b	15.2562 ± 0.0014 Å
c	4.5459 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	680.5 ± 0.1 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	3
Space group number	40
Hermann-Mauguin space group symbol	A m a 2
Hall space group symbol	A 2 -2a
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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