Crystallography Open Database

Information card for entry 7061300

Preview

Coordinates	7061300.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12.86 H11.57 N2 O0.87
Calculated formula	C12.855 H11.565 N2 O0.873
Title of publication	Crystalline azobenzene composites as photochemical phase-change materials
Authors of publication	Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	9
Pages of publication	4057 - 4061
a	12.4062 ± 0.0003 Å
b	12.2515 ± 0.0003 Å
c	7.3365 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1115.11 ± 0.04 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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