Crystallography Open Database

Information card for entry 4120329

4120328 << 4120329 >> 4120330

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Coordinates	4120329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 B10 F2
Calculated formula	C6 H18 B10 F2
Title of publication	Palladium-Catalyzed Selective Fluorination of o-Carboranes
Authors of publication	Zaozao Qiu; Yangjian Quan; Zuowei Xie
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	12192 - 12195
a	10.358 ± 0.0008 Å
b	10.9827 ± 0.0008 Å
c	12.1927 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1387.03 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1505
Weighted residual factors for all reflections included in the refinement	0.1594
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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