Crystallography Open Database

Information card for entry 7229543

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Coordinates	7229543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 Ag2 F12 N2 O2 P2 S2
Calculated formula	C25 H28 Ag2 F12 N2 O2 P2 S2
Title of publication	Influence of mole-ratio on the coordination behaviour of a ditopic N2O2S2-macrocycle: endo/exocyclic silver(I) coordination polymer exhibiting desolvation-induced SCSC transformation
Authors of publication	Seo, Sujin; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Jung, Jong Hwa; Lee, Shim Sung
Journal of publication	CrystEngComm
Year of publication	2017
a	19.6427 ± 0.0005 Å
b	10.2297 ± 0.0003 Å
c	16.2 ± 0.0004 Å
α	90°
β	108.408 ± 0.001°
γ	90°
Cell volume	3088.65 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.0871
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.2288
Weighted residual factors for all reflections included in the refinement	0.242
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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