Crystallography Open Database

Information card for entry 7158050

Preview

Coordinates	7158050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H20 F20 O4 Sb2
Calculated formula	C58 H20 F20 O4 Sb2
SMILES	[Sb]123([O](c4c(O5)c6c(F)c(F)c(F)c(F)c6c6c(F)c(F)c(F)c(F)c46)[Sb]5([O]1c1c(O2)c2c(F)c(F)c(F)c(F)c2c2c(F)c(F)c(F)c(F)c12)(c1c3c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.
Authors of publication	You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	22
Pages of publication	4949 - 4957
a	29.7448 ± 0.0012 Å
b	10.3503 ± 0.0004 Å
c	31.5033 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	9698.8 ± 0.7 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0749
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267229 (current)	2021-07-05	cif/ Updating files of 7158045, 7158046, 7158047, 7158048, 7158049, 7158050 Original log message: Adding full bibliography for 7158045--7158050.cif.	7158050.cif
264750	2021-05-01	cif/ Adding structures of 7158045, 7158046, 7158047, 7158048, 7158049, 7158050 via cif-deposit CGI script.	7158050.cif