Crystallography Open Database

Information card for entry 7132439

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Coordinates	7132439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H84 B38 N2
Calculated formula	C24 H84 B38 N2
Title of publication	9,9'-Bis-<i>o</i>-carboranes: synthesis and exploration of properties.
Authors of publication	Chen, Feijing; Guo, Wenjing; Ma, Yan-Na; Chen, Xuenian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	5
Pages of publication	614 - 617
a	10.7318 ± 0.0003 Å
b	13.0844 ± 0.0004 Å
c	18.4673 ± 0.0005 Å
α	89.977 ± 0.002°
β	78.418 ± 0.002°
γ	88.417 ± 0.002°
Cell volume	2539.36 ± 0.13 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.174
Weighted residual factors for all reflections included in the refinement	0.1828
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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