Crystallography Open Database

Information card for entry 7127289

Preview

Coordinates	7127289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H39 B2 F40 Sb
Calculated formula	C79 H39 B2 F40 Sb
SMILES	[Sb]1234[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.Fc1c(c(c(c(c1F)F)F)F)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c1(ccccc1)C.c1(ccccc1)C.c1(c(c(c(c(c1F)F)F)F)F)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c1(ccccc1)C
Title of publication	An arene-stabilized η<sup>5</sup>-pentamethylcyclopentadienyl antimony dication acts as a source of Sb<sup>+</sup> or Sb<sup>3+</sup> cations.
Authors of publication	Zhou, Jiliang; Kim, Hyehwang; Liu, Liu Leo; Cao, Levy L.; Stephan, Douglas W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	85
Pages of publication	12953 - 12956
a	16.5682 ± 0.0004 Å
b	15.2566 ± 0.0004 Å
c	28.2917 ± 0.0007 Å
α	90°
β	90.006 ± 0.001°
γ	90°
Cell volume	7151.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1197
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260674 (current)	2021-01-07	cif/ Updating files of 7127289, 7127290, 7127291 Original log message: Adding full bibliography for 7127289--7127291.cif.	7127289.cif
256550	2020-09-19	cif/ Adding structures of 7127289, 7127290, 7127291 via cif-deposit CGI script.	7127289.cif