Crystallography Open Database

Information card for entry 1577439

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Coordinates	1577439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H90 B42 Cu2 P2
Calculated formula	C55 H90 B42 Cu2 P2
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	11.313 ± 0.0001 Å
b	13.3497 ± 0.0002 Å
c	24.8346 ± 0.0003 Å
α	90°
β	90.864 ± 0.001°
γ	90°
Cell volume	3750.22 ± 0.08 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1411
Weighted residual factors for all reflections included in the refinement	0.1512
Goodness-of-fit parameter for all reflections included in the refinement	1.0259
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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