Crystallography Open Database

Information card for entry 7158049

Preview

Coordinates	7158049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H30 Cl6 F16 O4 Sb2
Calculated formula	C61 H30 Cl6 F16 O4 Sb2
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	10.646 ± 0.01 Å
b	12.039 ± 0.012 Å
c	22.8 ± 0.02 Å
α	88.953 ± 0.012°
β	89.387 ± 0.011°
γ	81.84 ± 0.011°
Cell volume	2892 ± 5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110.15 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	0.0449
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
276322 (current)	2022-06-28	cif/7/15/80/ Removed the '_chemical_name_systematic' and '_chemical_name_common' data items that had incorrect values in entries 7158048-7158049.	7158049.cif
267229	2021-07-05	cif/ Updating files of 7158045, 7158046, 7158047, 7158048, 7158049, 7158050 Original log message: Adding full bibliography for 7158045--7158050.cif.	7158049.cif
264750	2021-05-01	cif/ Adding structures of 7158045, 7158046, 7158047, 7158048, 7158049, 7158050 via cif-deposit CGI script.	7158049.cif