Crystallography Open Database

Information card for entry 7102601

Preview

Coordinates	7102601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H42 Ag2 F6 O6 S8
Calculated formula	C26 H42 Ag2 F6 O6 S8
Title of publication	Hexakis(isopropylthio)-1,5-hexadien-3-yne and its fluorescent Ag(I) coordination polymers: assembly of helicates with thioether sites.
Authors of publication	Fu, Yuan-Te; Lynch, Vincent M; Lagow, Richard J
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	9
Pages of publication	1068 - 1069
a	12.5105 ± 0.0002 Å
b	12.7713 ± 0.0002 Å
c	12.93 ± 0.0002 Å
α	87.501 ± 0.001°
β	77.2 ± 0.001°
γ	82.947 ± 0.001°
Cell volume	1999.03 ± 0.05 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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