Crystallography Open Database

Information card for entry 4114074

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Coordinates	4114074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C368 H152 Cl16 Cr4
Calculated formula	C368 H152 Cl16 Cr4
Title of publication	Formation of Single-Bonded (C60-)2 and (C70-)2 Dimers in Crystalline Ionic Complexes of Fullerenes
Authors of publication	Dmitri V. Konarev; Salavat S. Khasanov; Gunzi Saito; Akihiro Otsuka; Yukihiro Yoshida; Rimma N. Lyubovskaya
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	10074 - 10083
a	22.793 ± 0.001 Å
b	20.785 ± 0.001 Å
c	24.747 ± 0.001 Å
α	90°
β	106.387 ± 0.003°
γ	90°
Cell volume	11247.7 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0812
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1469
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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