Crystallography Open Database

Information card for entry 7003796

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Structure parameters

Formula	C17 H7 B F10 I2 N2
Calculated formula	C17 H7 B F10 I2 N2
SMILES	C1(=CC(C)=[N](c2c(c(c(c(c2F)F)F)F)F)[B](N1c1c(c(c(c(c1F)F)F)F)F)(I)I)C
Title of publication	Synthesis and structures of boron dihalides supported by the C6F5-substituted β-diketiminate ligand [HC(CMe)2(NC6F5)2]−
Authors of publication	Vidovic, Dragoslav; Reeske, Gregor; Findlater, Michael; Cowley, Alan H.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	17
Pages of publication	2293 - 2297
a	7.372 ± 0.001 Å
b	11.711 ± 0.002 Å
c	13.175 ± 0.002 Å
α	88.476 ± 0.006°
β	87.593 ± 0.006°
γ	75.717 ± 0.007°
Cell volume	1101.2 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.196
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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