Crystallography Open Database

Information card for entry 4342603

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Coordinates	4342603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H57 B11 Na O8
Calculated formula	C25 H51 B11 Na O8
Title of publication	Supercarborane radical anions with 2n + 3 electron counts: a combined experimental and theoretical study.
Authors of publication	Zhang, Jiji; Fu, Xiaodu; Lin, Zhenyang; Xie, Zuowei
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1965 - 1973
a	30.55 ± 0.02 Å
b	11.514 ± 0.008 Å
c	10.562 ± 0.007 Å
α	90°
β	97.58 ± 0.013°
γ	90°
Cell volume	3683 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1213
Residual factor for significantly intense reflections	0.0881
Weighted residual factors for significantly intense reflections	0.2227
Weighted residual factors for all reflections included in the refinement	0.248
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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