Crystallography Open Database

Information card for entry 7209505

7209504 << 7209505 >> 7209506

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Coordinates	7209505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H32 I2 N2
Calculated formula	C17 H32 I2 N2
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	14.0437 ± 0.0003 Å
b	16.4599 ± 0.0003 Å
c	9.3843 ± 0.0002 Å
α	90°
β	99.7969 ± 0.0008°
γ	90°
Cell volume	2137.62 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for all reflections	0.0821
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	1.0483
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.	7209505.cif
86003	2013-05-09	cif/ Adding structures of 7209505, 7209506, 7209507, 7209508 via cif-deposit CGI script.	7209505.cif