Crystallography Open Database

Information card for entry 7134108

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Coordinates	7134108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H26 Cl6 F6 Ir2 Li N O4 S2
Calculated formula	C80 H26 Cl6 F6 Ir2 Li N O4 S2
Title of publication	Dinuclear iridium complexes ligated by lithium-ion endohedral fullerene Li<sup>+</sup>@C<sub>60</sub>.
Authors of publication	Fukushi, Chinari; Komuro, Takashi; Hashimoto, Hisako
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	11
Pages of publication	2273 - 2276
a	13.6564 ± 0.0002 Å
b	14.5752 ± 0.0004 Å
c	15.8044 ± 0.0004 Å
α	115.334 ± 0.003°
β	98.0777 ± 0.0016°
γ	92.7062 ± 0.0016°
Cell volume	2794.71 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.0947
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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