Crystallography Open Database

Information card for entry 7035515

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Coordinates	7035515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H40 B12 Br11 O P2
Calculated formula	C48 H40 B12 Br11 O P2
Title of publication	Alkoxy substituted halogenated closo-dodecaborates as anions for ionic liquids.
Authors of publication	Jenne, Carsten; Kirsch, Christoph
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	29
Pages of publication	13119 - 13124
a	12.8817 ± 0.0002 Å
b	12.3453 ± 0.0002 Å
c	19.1305 ± 0.0004 Å
α	90°
β	108.907 ± 0.0019°
γ	90°
Cell volume	2878.14 ± 0.09 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
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	0.0437
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0523
Weighted residual factors for all reflections included in the refinement	0.057
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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