Crystallography Open Database

Information card for entry 1557181

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Coordinates	1557181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 N4 S2
Calculated formula	C22 N4 S2
SMILES	C1N(CCSC1)Cc1cc(cc(c2cc(cc(CN3CCSCC3)n2)C)n1)C
Title of publication	Synthesis and Characterization of Some New Bipyridyl-Based Multidentate Ligands and Their CuI Complexes
Authors of publication	Laitinen, Riitta H.; Csoban, Katalin; Pursiainen, Jouni; Huuskonen, Juhani; Rissanen, Kari
Journal of publication	Acta Chemica Scandinavica
Year of publication	1997
Journal volume	51
Pages of publication	462 - 469
a	9.1239 ± 0.0008 Å
b	9.518 ± 0.002 Å
c	7.3299 ± 0.0007 Å
α	95.26 ± 0.09°
β	107.805 ± 0.007°
γ	112.17 ± 0.01°
Cell volume	545.5 ± 0.3 Å³
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.092
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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