Crystallography Open Database

Information card for entry 7209506

7209505 << 7209506 >> 7209507

Preview

Coordinates	7209506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H34 Cl I N2 O
Calculated formula	C17 H34 Cl I N2 O
Title of publication	Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes
Authors of publication	Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	16
Pages of publication	3076
a	8.8992 ± 0.0005 Å
b	9.1246 ± 0.0005 Å
c	14.513 ± 0.0008 Å
α	108.091 ± 0.005°
β	93.709 ± 0.004°
γ	106.155 ± 0.004°
Cell volume	1061.15 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0436
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for all reflections	0.1087
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.0779
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180426 (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 7/20/95.	7209506.cif
86003	2013-05-09	cif/ Adding structures of 7209505, 7209506, 7209507, 7209508 via cif-deposit CGI script.	7209506.cif