Crystallography Open Database

Information card for entry 7206788

7206787 << 7206788 >> 7206789

Preview

Coordinates	7206788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 I4 N8 O8
Calculated formula	C22 H28 I4 N8 O8
Title of publication	Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds
Authors of publication	Raatikainen, Kari; Rissanen, Kari
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	23
Pages of publication	6972
a	16.8164 ± 0.0007 Å
b	16.8164 ± 0.0007 Å
c	14.3925 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4070.1 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	120
Hermann-Mauguin space group symbol	I -4 c 2
Hall space group symbol	I -4 -2c
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	1.197
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180398 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/67.	7206788.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206788.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206788.cif
31223	2011-12-13	../uploads/cif-deposit/cod/cif Adding structures of 7206786, 7206787, 7206788, 7206789 via cif-deposit CGI script.	7206788.cif