Crystallography Open Database

Information card for entry 7061301

Preview

Coordinates	7061301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12.9 H11.7 N2 O0.88
Calculated formula	C12.902 H11.706 N2 O0.885
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	12.4634 ± 0.0005 Å
b	12.3362 ± 0.0005 Å
c	7.4618 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1147.26 ± 0.07 Å³
Cell temperature	290 ± 0.1 K
Ambient diffraction temperature	290 ± 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	0.0485
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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

Version history

Revision	Date	Message	Files
273405 (current)	2022-03-05	cif/ Updating files of 7061294, 7061295, 7061296, 7061297, 7061298, 7061299, 7061300, 7061301, 7061302, 7061303, 7061304, 7061305 Original log message: Adding full bibliography for 7061294--7061305.cif.	7061301.cif
273076	2022-02-22	cif/ Adding structures of 7061294, 7061295, 7061296, 7061297, 7061298, 7061299, 7061300, 7061301, 7061302, 7061303, 7061304, 7061305 via cif-deposit CGI script.	7061301.cif