Crystallography Open Database

Information card for entry 7006926

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Structure parameters

Formula	C19 H19 N3 O3
Calculated formula	C19 H19 N3 O3
SMILES	OCCOCCOc1cc(nc(c2ncccc2)c1)c1ncccc1
Title of publication	Ligands and complexes with supramolecular aromatic-aromatic interactions: iron(II) and ruthenium(II) complexes of 2,2':6',2''-terpyridines with pendant naphthalene groups.
Authors of publication	Chow, Hoi Shan; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	23
Pages of publication	2881 - 2890
a	10.5509 ± 0.0003 Å
b	22.5202 ± 0.0007 Å
c	7.289 ± 0.0002 Å
α	90°
β	109.064 ± 0.0016°
γ	90°
Cell volume	1636.94 ± 0.08 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for all reflections	0.1411
Weighted residual factors for significantly intense reflections	0.0627
Weighted residual factors for all reflections included in the refinement	0.0627
Goodness-of-fit parameter for all reflections included in the refinement	0.9494
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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