Crystallography Open Database

Information card for entry 7121044

Preview

Coordinates	7121044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H51 B22 N3
Calculated formula	C20 H51 B22 N3
Title of publication	Crystal structure of a carborane endo/exo-dianion and its use in the synthesis of ditopic ligands for supramolecular frameworks.
Authors of publication	Zhang, Kang; Shen, Yunjun; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	14
Pages of publication	1698 - 1701
a	10.2902 ± 0.0011 Å
b	10.7001 ± 0.0012 Å
c	16.1214 ± 0.0014 Å
α	73.928 ± 0.009°
β	86.356 ± 0.008°
γ	88.275 ± 0.009°
Cell volume	1702.1 ± 0.3 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.1636
Residual factor for significantly intense reflections	0.0845
Weighted residual factors for significantly intense reflections	0.2202
Weighted residual factors for all reflections included in the refinement	0.2915
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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