Crystallography Open Database

Information card for entry 1562684

Preview

Coordinates	1562684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Cl3 N4 O0.6
Calculated formula	C24 H20 Cl3 N4 O0.4
Title of publication	Phase Change-Driven Radical Population and Electrical Conductivity Increases of Organic Radical Crystals by Mild Heating
Authors of publication	Koo, Jin Young; Kwon, Taeyeon; Ahn, Yoolim; Choi, Hee Cheul
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2021
Journal volume	125
Journal issue	20
Pages of publication	10991 - 10997
a	7.047 ± 0.0014 Å
b	8.9611 ± 0.0018 Å
c	9.4376 ± 0.0019 Å
α	76.52 ± 0.03°
β	71.24 ± 0.03°
γ	86.47 ± 0.03°
Cell volume	548.7 ± 0.2 Å³
Cell temperature	333 ± 2 K
Ambient diffraction temperature	333 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1322
Residual factor for significantly intense reflections	0.075
Weighted residual factors for significantly intense reflections	0.2128
Weighted residual factors for all reflections included in the refinement	0.2513
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.63 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
265761 (current)	2021-06-04	cif/ Updating files of 1562684, 1562685 Original log message: Adding full bibliography for 1562684--1562685.cif.	1562684.cif
265334	2021-05-20	cif/ Adding structures of 1562684 via cif-deposit CGI script.	1562684.cif