Crystallography Open Database

Information card for entry 4120386

4120385 << 4120386 >> 4120387

Preview

Coordinates	4120386.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	trans-2
Chemical name	trans-azo(4-iodo-2,3,5,6-tetrafluoro)benzene
Formula	C12 F8 I2 N2
Calculated formula	C12 F8 I2 N2
Title of publication	Shaping Crystals with Light: Crystal-to-Crystal Isomerization and Photomechanical Effect in Fluorinated Azobenzenes
Authors of publication	Oleksandr S. Bushuyev; Anna Tomberg; Tomislav Friščić; Christopher J. Barrett
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	12556 - 12559
a	10.324 ± 0.001 Å
b	5.968 ± 0.0006 Å
c	24.112 ± 0.002 Å
α	90°
β	100.176 ± 0.001°
γ	90°
Cell volume	1462.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.0613
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178980 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/03.	4120386.cif
106048	2014-03-14	cif/ Adding structures of 4120386 via cif-deposit CGI script.	4120386.cif