Crystallography Open Database

Information card for entry 7134011

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Coordinates	7134011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65.5 H11 B N2 S
Calculated formula	C65.5 H11 B N2 S
Title of publication	NHC-BH2-C60H: Synthesis, Characterization and Electrochemical Properties of the N‑heterocyclic Carbene Stabilized Fullerene-borane Complex
Authors of publication	Yuan, Sheng-Hu; Ma, Shu-Chao; Wu, Jian; Zheng, Xiu-Ying; Xuan, Jun; Li, Fei
Journal of publication	Chemical Communications
Year of publication	2024
a	13.8769 ± 0.0002 Å
b	13.8769 ± 0.0002 Å
c	35.5657 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	6848.8 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.197
Residual factor for significantly intense reflections	0.1632
Weighted residual factors for significantly intense reflections	0.4182
Weighted residual factors for all reflections included in the refinement	0.4511
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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