Crystallography Open Database

Information card for entry 7715320

Preview

Coordinates	7715320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H63 B F12 P4 Si6
Calculated formula	C39 H63 B F12 P4 Si6
SMILES	[P]([B](c1c(F)c(F)c(P([Si](C)(C)C)[Si](C)(C)C)c(F)c1F)(c1c(F)c(F)c(P([Si](C)(C)C)[Si](C)(C)C)c(F)c1F)c1c(F)c(F)c(P([Si](C)(C)C)[Si](C)(C)C)c(F)c1F)(C)(C)C
Title of publication	Triple <i>para</i>-substitution reactions of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> and [(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>PF]<sup>+</sup> with P(SiMe<sub>3</sub>)<sub>3</sub>.
Authors of publication	Thomson, Jordan; Michailovich, Sofia; Miao, Linkun; Farrell, Jeffrey M.; Murray, Jillian A.; Lough, Alan; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	13
Pages of publication	5775 - 5778
a	14.6989 ± 0.0009 Å
b	23.5345 ± 0.0017 Å
c	8.3881 ± 0.0005 Å
α	90°
β	111.988 ± 0.003°
γ	90°
Cell volume	2690.6 ± 0.3 Å³
Cell temperature	150.02 K
Ambient diffraction temperature	150.02 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.0347
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
290931 (current)	2024-04-05	cif/ Updating files of 7715319, 7715320 Original log message: Adding full bibliography for 7715319--7715320.cif.	7715320.cif
290025	2024-03-02	cif/ Adding structures of 7715319, 7715320 via cif-deposit CGI script.	7715320.cif