Crystallography Open Database

Information card for entry 7112680

Preview

Coordinates	7112680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 B2 F20 O
Calculated formula	C24 B2 F20 O
SMILES	O(B(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)B(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
Title of publication	Bis-boranes in the frustrated Lewis pair activation of carbon dioxide.
Authors of publication	Zhao, Xiaoxi; Stephan, Douglas W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2011
Journal volume	47
Journal issue	6
Pages of publication	1833 - 1835
a	11.1407 ± 0.0006 Å
b	11.3624 ± 0.0006 Å
c	11.4867 ± 0.0006 Å
α	107.322 ± 0.003°
β	94.603 ± 0.002°
γ	117.977 ± 0.002°
Cell volume	1183.44 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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