Crystallography Open Database

Information card for entry 7213668

Preview

Coordinates	7213668.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(26BrIO)3_CH2Cl2_[11-125]
Formula	C38 H22 Br3 Cl4 N9 O6
Calculated formula	C38 H22 Br3 Cl4 N9 O6
Title of publication	Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides
Authors of publication	Mocilac, Pavle; Gallagher, John F.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	10
Pages of publication	1893
a	12.239 ± 0.0005 Å
b	13.6149 ± 0.0005 Å
c	13.6447 ± 0.0005 Å
α	100.749 ± 0.003°
β	99.99 ± 0.003°
γ	95.463 ± 0.003°
Cell volume	2180.69 ± 0.15 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1119
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1607
Weighted residual factors for all reflections included in the refinement	0.1867
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
180467 (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 7/21/36.	7213668.cif
105151	2014-03-11	cif/ Adding structures of 7213665, 7213666, 7213667, 7213668, 7213669 via cif-deposit CGI script.	7213668.cif