Crystallography Open Database

Information card for entry 7233648

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Structure parameters

Formula	C22 H20 Cl3 N5 O15
Calculated formula	C22 H20 Cl3 N5 O15
SMILES	Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].n12c([nH+]c(O)c1c1[nH]c3[n+](c1/C=C/C(=O)c1cc[nH+]cc1)cccc3)cccc2.O
Title of publication	Stimuli-responsive switching of magnetic properties and solid-state colors for 2,3'-biimidazo[1,2-a]pyridin-2'-one radical derivatives
Authors of publication	Guo-Ping Yong; Yu-Mei Zhao; Ya Feng
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	2228 - 2234
a	8.4405 ± 0.0006 Å
b	12.6053 ± 0.0007 Å
c	14.5536 ± 0.0007 Å
α	111.421 ± 0.005°
β	104.571 ± 0.005°
γ	94.943 ± 0.006°
Cell volume	1367.59 ± 0.16 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0744
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1557
Weighted residual factors for all reflections included in the refinement	0.1645
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7233648.cif
217977	2019-09-04	cif/ Adding structures of 7233648 via cif-deposit CGI script.	7233648.cif