Crystallography Open Database

Information card for entry 7132434

Preview

Coordinates	7132434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H20 B20 Cl2 O0.06
Calculated formula	C4.375 H19.5 B20 Cl3
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	13.41936 ± 0.00017 Å
b	25.17 ± 0.0003 Å
c	25.1694 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	8501.35 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.2022
Weighted residual factors for all reflections included in the refinement	0.2143
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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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