Crystallography Open Database

Information card for entry 7216945

Preview

Coordinates	7216945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H25 F6 P3
Calculated formula	C12 H25 F6 P3
SMILES	P12CCCC[PH+](CCCC1)(CCCC2).[P](F)(F)(F)(F)(F)[F-]
Title of publication	Superbasic bridgehead diphosphines: the effects of strain and intrabridgehead P · · · P bonding on phosphine basicity
Authors of publication	Alder, Roger W.; Butts, Craig P.; Orpen, A. Guy; Read, David; Oliva, Josep M.
Journal of publication	Journal of the Chemical Society, Perkin Transactions 2
Year of publication	2001
Journal issue	3
Pages of publication	282
a	7.8764 ± 0.0009 Å
b	13.8784 ± 0.0018 Å
c	15.138 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1654.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
180500 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/69.	7216945.cif
118572	2014-06-30	cif/ Adding structures of 7216945 via cif-deposit CGI script.	7216945.cif