Crystallography Open Database

Information card for entry 4112854

Preview

Coordinates	4112854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H69 Ag4 Au2.5 F9 P5.5
Calculated formula	C90 H69 Ag4 Au2.5 F9 P5.5
Title of publication	Luminescent Heteronuclear AuI5AgI8 Complexes of {1,2,3-C6(C6H4R-4)3}3- (R = H, CH3, But) by Cyclotrimerization of Arylacetylides
Authors of publication	Qiao-Hua Wei; Li-Yi Zhang; Gang-Qiang Yin; Lin-Xi Shi; Zhong-Ning Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	9940 - 9941
a	28.3783 ± 0.0008 Å
b	20.7597 ± 0.0005 Å
c	31.9587 ± 0.0009 Å
α	90°
β	94.983 ± 0.001°
γ	90°
Cell volume	18756.5 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.124
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.1609
Weighted residual factors for all reflections included in the refinement	0.2022
Goodness-of-fit parameter for all reflections included in the refinement	1.236
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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