Crystallography Open Database

Information card for entry 4319857

4319856 << 4319857 >> 4319858

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Coordinates	4319857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H50 Ag F3 N2 O3 S
Calculated formula	C47 H50 Ag F3 N2 O3 S
SMILES	[Ag]([n]1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[n]1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Design and Synthesis of a Sterically Hindered Pyridine and Its Encapsulation of Silver(I) Cation
Authors of publication	Eric Bosch; Charles L. Barnes
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	3234 - 3236
a	15.9744 ± 0.001 Å
b	16.1255 ± 0.001 Å
c	17.1825 ± 0.0011 Å
α	90°
β	96.191 ± 0.001°
γ	90°
Cell volume	4400.3 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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