Crystallography Open Database

Information card for entry 7052945

Preview

Coordinates	7052945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 N4
Calculated formula	C14 H12 N4
SMILES	n1cccc(c1)C1C(=C(NC(=C1C#N)C)C)C#N
Title of publication	Silver(i) supramolecular complexes generated from polydentate ligands containing cyano and pyridyl groups
Authors of publication	Yeh, Chun-Wei; Chang, Wen-Jung; Suen, Maw-Cherng; Jou, Chi-Hsiung; Wang, Ju-Chun
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	12
Pages of publication	2520
a	5.8153 ± 0.0006 Å
b	12.6387 ± 0.0012 Å
c	16.3614 ± 0.0015 Å
α	90°
β	92.692 ± 0.002°
γ	90°
Cell volume	1201.2 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1342
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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