Crystallography Open Database

Information card for entry 4116733

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Coordinates	4116733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H48 Au6 Br13 I12 S48
Calculated formula	C53 H64 Au5 Br12.25 I12 S40
Title of publication	Multicomponent Molecular Conductors with Supramolecular Assembly: Iodine-Containing Neutral Molecules as Building Blocks
Authors of publication	Hiroshi M. Yamamoto; Jun-Ichi Yamaura; Reizo Kato
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	5905 - 5913
a	34.278 ± 0.004 Å
b	25.412 ± 0.003 Å
c	7.954 ± 0.002 Å
α	90°
β	93.268 ± 0.013°
γ	90°
Cell volume	6917 ± 2 Å³
Cell temperature	293.2 K
Ambient diffraction temperature	293.2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1793
Residual factor for significantly intense reflections	0.0962
Weighted residual factors for all reflections	0.2662
Goodness-of-fit parameter for all reflections	1.056
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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