Crystallography Open Database

Information card for entry 1577438

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Coordinates	1577438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H77 B42 K2 O Si4
Calculated formula	C28 H77 B42 K2 O Si4
Title of publication	Bis(Carboranyl)boryl Anions
Authors of publication	Vashisth, Kanika; Thornton, Ragene; Yoon, Bohak; Martin, Caleb Daniel
Journal of publication	Chemical Science
Year of publication	2026
a	11.874 ± 0.0008 Å
b	21.7774 ± 0.0016 Å
c	25.769 ± 0.0018 Å
α	90°
β	97.038 ± 0.002°
γ	90°
Cell volume	6613.3 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0944
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.2304
Weighted residual factors for all reflections included in the refinement	0.2407
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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