Crystallography Open Database

Information card for entry 4087563

Preview

Coordinates	4087563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H64 K O6 P Si4
Calculated formula	C28 H64 K O6 P Si4
SMILES	[P-]1C(CCC1([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.[K]12345[O]6CC[O]1CC[O]3CC[O]4CC[O]5CC[O]2CC6
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	9.908 ± 0.003 Å
b	10.852 ± 0.003 Å
c	18.585 ± 0.005 Å
α	94.352 ± 0.003°
β	92.112 ± 0.004°
γ	101.411 ± 0.004°
Cell volume	1950.4 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0661
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1292
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	4087563.cif