Crystallography Open Database

Information card for entry 2016617

2016616 << 2016617 >> 2016618

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Structure parameters

Chemical name	4'-iodo-2,2':6',2''-terpyridine
Formula	C15 H10 I N3
Calculated formula	C15 H10 I N3
SMILES	Ic1cc(nc(c1)c1ncccc1)c1ncccc1
Title of publication	4'-Iodo-2,2':6',2''-terpyridine
Authors of publication	Fallahpour, Reza-Ali; Linden, Anthony
Journal of publication	Acta Crystallographica Section C
Year of publication	2008
Journal volume	64
Journal issue	5
Pages of publication	o283 - o285
a	7.4518 ± 0.0002 Å
b	17.2432 ± 0.0003 Å
c	10.0691 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1293.81 ± 0.05 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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