Crystallography Open Database

Information card for entry 7005391

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Coordinates	7005391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H23 B9 I8 N2
Calculated formula	C8 H23 B9 I8 N2
Title of publication	"Water-stable boron-iodinated dicarbollide dianions [7,8-nido-C2H2B9I9]2- and [7,8-nido-C2H2B9I8H]2-".
Authors of publication	Teixidor, Francesc; Barberà, Gemma; Kivekäs, Raikko; Sillanpää, Reijo; Viñas, Clara
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	17
Pages of publication	1668 - 1670
a	11.1115 ± 0.0006 Å
b	14.8951 ± 0.0008 Å
c	17.5202 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2899.7 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	40
Hermann-Mauguin space group symbol	A m a 2
Hall space group symbol	A 2 -2a
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mokα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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