Crystallography Open Database

Information card for entry 4113893

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Structure parameters

Formula	C52 H48 Ag2 F6 N8 O6 S2
Calculated formula	C52 H48 Ag2 F6 N8 O6 S2
SMILES	c1[n]2c3ccccc3n1Cc1c(cc(c(c1C)Cn1c[n]([Ag]([n]3cn(c4c3cccc4)Cc3c(cc(c(c3C)Cn3c[n]([Ag]2OS(=O)(=O)C(F)(F)F)c2ccccc32)C)C)OS(=O)(=O)C(F)(F)F)c2ccccc12)C)C
Title of publication	Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms
Authors of publication	Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	8595 - 8613
a	10.0439 ± 0.0012 Å
b	11.5002 ± 0.0014 Å
c	12.4933 ± 0.0016 Å
α	63.602 ± 0.002°
β	86.826 ± 0.002°
γ	87.684 ± 0.002°
Cell volume	1290.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0935
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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