Crystallography Open Database

Information card for entry 4308542

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Coordinates	4308542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H40 Ag2 Cl4 F6 N8 O10 S2
Calculated formula	C44 H40 Ag2 Cl4 F6 N8 O10 S2
SMILES	[Ag]1[n]2ccc(cc2)N(C)C(=O)c2cccc(c2)C(=O)N(c2cc[n]([Ag][n]3ccc(cc3)N(C)C(=O)c3cccc(c3)C(=O)N(c3cc[n]1cc3)C)cc2)C.C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl.C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl
Title of publication	Disilver(I) Macrocycles: Variation of Cavity Size with Anion Binding
Authors of publication	Nancy L. S. Yue; Michael C. Jennings; Richard J. Puddephatt
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1125 - 1131
a	9.1836 ± 0.0004 Å
b	9.7625 ± 0.0005 Å
c	14.9279 ± 0.0009 Å
α	92.418 ± 0.001°
β	105.768 ± 0.002°
γ	90.421 ± 0.002°
Cell volume	1286.6 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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