Crystallography Open Database

Information card for entry 7000985

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Coordinates	7000985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H38 B12 Cl16
Calculated formula	C42 H38 B12 Cl16
Title of publication	Synthesis and characterization of synthetically useful salts of the weakly-coordinating dianion [B12Cl12]2−
Authors of publication	Geis, Vanessa; Guttsche, Kristin; Knapp, Carsten; Scherer, Harald; Uzun, Rabiya
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	15
Pages of publication	2687 - 2694
a	9.9318 ± 0.0002 Å
b	14.9879 ± 0.0004 Å
c	17.9243 ± 0.0004 Å
α	90°
β	91.622 ± 0.001°
γ	90°
Cell volume	2667.09 ± 0.11 Å³
Cell temperature	114 ± 2 K
Ambient diffraction temperature	114 ± 2 K
Number of distinct elements	4
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	0.0393
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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