Crystallography Open Database

Information card for entry 7205503

7205502 << 7205503 >> 7205504

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Coordinates	7205503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 N4 S2
Calculated formula	C14 H10 N4 S2
SMILES	c1(n2cncc2)sc(cc1)c1ccc(n2cncc2)s1
Title of publication	Linear extension of bithiophene compounds by the combination of C‒N covalent bond cross-coupling and N‒Ag coordinative bond formation
Authors of publication	Wang, Li; Tao, Tao; Fu, Shu-Jun; Wang, Cheng; Huang, Wei; You, Xiao-Zeng
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	3
Pages of publication	747
a	3.9135 ± 0.0014 Å
b	7.475 ± 0.003 Å
c	22.656 ± 0.008 Å
α	90°
β	95.447 ± 0.007°
γ	90°
Cell volume	659.8 ± 0.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 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	0.0849
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.1895
Weighted residual factors for all reflections included in the refinement	0.1913
Goodness-of-fit parameter for all reflections included in the refinement	1.212
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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