Crystallography Open Database

Information card for entry 7716155

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Coordinates	7716155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 B F N2 Si2
Calculated formula	C30 H50 B F N2 Si2
SMILES	[Si]1(N(c2c(C(C)C)cccc2C(C)C)B(N([Si](CC1)(C)C)c1c(C(C)C)cccc1C(C)C)F)(C)C
Title of publication	A chelated borinium cation.
Authors of publication	Major, Christopher; Lough, Alan; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	24
Pages of publication	10075 - 10078
a	9.7767 ± 0.0006 Å
b	11.4623 ± 0.0008 Å
c	16.2806 ± 0.0011 Å
α	75.113 ± 0.003°
β	79.398 ± 0.003°
γ	65.194 ± 0.003°
Cell volume	1594.49 ± 0.19 Å³
Cell temperature	150.01 K
Ambient diffraction temperature	150.01 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	0.0408
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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