Crystallography Open Database

Information card for entry 4087564

Preview

Coordinates	4087564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H62 Ag F3 O3 P2 S Si6
Calculated formula	C27 H62 Ag F3 O3 P2 S Si6
SMILES	[Ag]([P]1=C(CCC1([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)([P]1=C(CCC1([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
Title of publication	Redox Reactions of a Stable Dialkylphosphinyl Radical
Authors of publication	Hirakawa, Fumiya; Ichikawa, Hitomi; Ishida, Shintaro; Iwamoto, Takeaki
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	12
Pages of publication	2714
a	13.193 ± 0.002 Å
b	19.759 ± 0.003 Å
c	17.558 ± 0.003 Å
α	90°
β	97.938 ± 0.002°
γ	90°
Cell volume	4533.2 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.0997
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
236853 (current)	2019-11-24	cif/ Adding structures of 4087563, 4087564, 4087565 via cif-deposit CGI script.	4087564.cif