Crystallography Open Database

Information card for entry 7242998

Preview

Coordinates	7242998.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	15.7226 ± 0.0013 Å
b	7.1311 ± 0.0006 Å
c	9.0875 ± 0.001 Å
α	90°
β	106.081 ± 0.01°
γ	90°
Cell volume	979.02 ± 0.17 Å³
Cell temperature	290.06 ± 0.11 K
Ambient diffraction temperature	290.06 ± 0.11 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	0.0565
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1174
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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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