Crystallography Open Database

Information card for entry 4312157

Preview

Coordinates	4312157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H96 Ag3 F9 O9 S15
Calculated formula	C132 H96 Ag3 F9 O9 S15
Title of publication	Fluorescent Coordination Networks of 2,3,6,7,10,11-Hexakis(phenylthio)triphenylene and Silver(I) Triflate
Authors of publication	Kunhao Li; Zhengtao Xu; James C. Fettinger
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	8018 - 8022
a	12.081 ± 0.0005 Å
b	16.5071 ± 0.0007 Å
c	31.8966 ± 0.0013 Å
α	78.85 ± 0.001°
β	82.068 ± 0.001°
γ	76.844 ± 0.001°
Cell volume	6047.6 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0798
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1553
Weighted residual factors for all reflections included in the refinement	0.1709
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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