Crystallography Open Database

Information card for entry 4103459

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Coordinates	4103459.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CpFeMe5C60MeAr5
Formula	C181 H198 Fe Si5
Calculated formula	C146 H111 Fe Si5
Title of publication	Octupole-like Supramolecular Aggregates of Conical Iron Fullerene Complexes into a Three-Dimensional Liquid Crystalline Lattice
Authors of publication	Chang-Zhi Li; Yutaka Matsuo; Eiichi Nakamura
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	15514 - 15515
a	30.5806 ± 0.0007 Å
b	30.5806 ± 0.0007 Å
c	68.5594 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	64115 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.2529
Residual factor for significantly intense reflections	0.1418
Weighted residual factors for significantly intense reflections	0.3524
Weighted residual factors for all reflections included in the refinement	0.3835
Goodness-of-fit parameter for all reflections included in the refinement	1.815
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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