Crystallography Open Database

Information card for entry 4118336

Preview

Coordinates	4118336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H14 La2 O2 S4
Calculated formula	C94 H14 La2 O2 S4
Title of publication	A Paradigmatic Change: Linking Fullerenes to Electron Acceptors
Authors of publication	Lai Feng; Marc Rudolf; Silke Wolfrum; Anna Troeger; Zdenek Slanina; Takeshi Akasaka; Shigeru Nagase; Nazario Martín; Tayebeh Ameri; Christoph J. Brabec; Dirk M. Guldi
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	12190 - 12197
a	14.612 ± 0.005 Å
b	11.033 ± 0.005 Å
c	33.094 ± 0.005 Å
α	90 ± 0.005°
β	99.129 ± 0.005°
γ	90 ± 0.005°
Cell volume	5268 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.0936
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.2188
Weighted residual factors for all reflections included in the refinement	0.2335
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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