Crystallography Open Database

Information card for entry 7242994

Preview

Coordinates	7242994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H9 N3
Calculated formula	C11 H9 N3
Title of publication	Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions
Authors of publication	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	25
Pages of publication	4439 - 4443
a	15.5861 ± 0.0009 Å
b	7.0608 ± 0.0004 Å
c	9.0691 ± 0.0006 Å
α	90°
β	105.198 ± 0.007°
γ	90°
Cell volume	963.15 ± 0.11 Å³
Cell temperature	210.05 ± 0.1 K
Ambient diffraction temperature	210.05 ± 0.1 K
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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