Crystallography Open Database

Information card for entry 7124359

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Coordinates	7124359.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[70]fullerene chloride VCl4 solvate
Formula	C70 Cl29.06 V0.71
Calculated formula	C70 Cl29.0644 V0.7149
Title of publication	Fused-pentagon C70Cl26 obtained via chlorination-promoted Stone‒Wales cage transformations of C70
Authors of publication	Brotsman, Victor A.; Kemnitz, Erhard; Troyanov, Sergey I.
Journal of publication	Chemical Communications
Year of publication	2019
a	20.7784 ± 0.0004 Å
b	17.8911 ± 0.0004 Å
c	17.4121 ± 0.0003 Å
α	90°
β	105.487 ± 0.001°
γ	90°
Cell volume	6237.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.0288
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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