Crystallography Open Database

Information card for entry 7216491

Preview

Coordinates	7216491.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-Iodo-3,5-bis(4',4',5',5'-tetramethyl-4',5'-dihydro- 1'H-imidazole-1'-oxyl)benzene - co - dichloromethane
Formula	C21 H29.72 Cl2 I N4 O2.36
Calculated formula	C21 H29 Cl2 I N4 O2.36
Title of publication	Organizing a bis(iminoylnitroxide) diradical into antiferromagnetically coupled chains by co-crystallization with dichloromethane
Authors of publication	Akpinar, Handan; Schlueter, John A.; Lahti, Paul M.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	26
Pages of publication	5832
a	13.745 ± 0.0008 Å
b	24.8293 ± 0.0014 Å
c	7.2076 ± 0.0004 Å
α	90°
β	95.191 ± 0.001°
γ	90°
Cell volume	2449.7 ± 0.2 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.161
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.3936 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180495 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/64.	7216491.cif
119392	2014-07-07	cif/ Updating files of 7216491 Original log message: Adding full bibliography for 7216491.cif.	7216491.cif
116414	2014-06-11	cif/ Adding structures of 7216491 via cif-deposit CGI script.	7216491.cif