Crystallography Open Database

Information card for entry 7035967

Preview

Coordinates	7035967.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	iPr2P(Se)(CF=CF(CF3))
Formula	C9 H14 F5 P Se
Calculated formula	C9 H14 F5 P Se
SMILES	C(=C(C(F)(F)F)\F)(\F)P(C(C)C)(C(C)C)=[Se]
Title of publication	Perfluoropropenyl-containing phosphines from HFC replacements.
Authors of publication	Brisdon, Alan K.; Ali Ghaba, Hana; Beutel, Bernd; Egjandi, Amina; Addaraidi, Arij; Pritchard, Robin G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	45
Pages of publication	19717 - 19731
a	6.969 ± 0.0007 Å
b	7.729 ± 0.0007 Å
c	12.473 ± 0.0016 Å
α	77.095 ± 0.004°
β	78.88 ± 0.005°
γ	73.227 ± 0.009°
Cell volume	621.04 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.1532
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation probe	x-ray
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
171173 (current)	2015-12-09	cif/ Updating files of 7035966, 7035967, 7035968, 7035969, 7035970, 7035971, 7035972, 7035973 Original log message: Adding full bibliography for 7035966--7035973.cif.	7035967.cif
152575	2015-07-28	cif/ Adding structures of 7035966, 7035967, 7035968, 7035969, 7035970, 7035971, 7035972, 7035973 via cif-deposit CGI script.	7035967.cif