Crystallography Open Database

Information card for entry 2243243

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Structure parameters

Chemical name	Di-μ-trihydro(pentafluoropheny)borato-tetrakis(tetrahydrofuran)disodium
Formula	C28 H38 B2 F10 Na2 O4
Calculated formula	C28 H38 B2 F10 Na2 O4
SMILES	[Na]123([O]4CCCC4)([O]4CCCC4)[H][B](c4c([F]2)c(F)c(F)c(F)c4F)([H]1)[H][Na]12([O]4CCCC4)([O]4CCCC4)[H][B](c4c([F]2)c(F)c(F)c(F)c4F)([H]1)[H]3
Title of publication	Crystal structure of di-μ-trihydro(pentafluorophenyl)borato-tetrakis(tetrahydrofuran)disodium
Authors of publication	Tanaka, Ryo; Shiono, Takeshi
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	2
Pages of publication	145 - 147
a	7.9698 ± 0.0005 Å
b	10.1104 ± 0.0006 Å
c	11.5208 ± 0.0007 Å
α	113.461 ± 0.002°
β	105.685 ± 0.003°
γ	91.805 ± 0.002°
Cell volume	809.63 ± 0.09 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0506
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1411
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
246738 (current)	2020-01-11	cif/ hkl/ Adding structures of 2243243 via cif-deposit CGI script.	2243243.cif 2243243.hkl