Crystallography Open Database

Information card for entry 7209508

7209507 << 7209508 >> 7209509

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Coordinates	7209508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H34 Br2 N2 O
Calculated formula	C17 H34 Br2 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	18.4148 ± 0.0002 Å
b	8.7874 ± 0.0001 Å
c	27.3027 ± 0.0004 Å
α	90°
β	107.422 ± 0.0005°
γ	90°
Cell volume	4215.4 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0786
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for all reflections	0.1048
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.0066
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
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.	7209508.cif
86003	2013-05-09	cif/ Adding structures of 7209505, 7209506, 7209507, 7209508 via cif-deposit CGI script.	7209508.cif