Crystallography Open Database

Information card for entry 7035969

Preview

Coordinates	7035969.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Mo(CO)4{(CF3CF=CF)2PCH2CH2P(CF=CFCF3)2}]
Formula	C18 H4 F20 Mo O4 P2
Calculated formula	C18 H4 F20 Mo O4 P2
SMILES	[Mo]1(C#[O])(C#[O])([P](C(=C(C(F)(F)F)\F)\F)(/C(=C(\C(F)(F)F)F)F)CC[P]1(/C(=C(\C(F)(F)F)F)F)C(=C(C(F)(F)F)\F)\F)(C#[O])C#[O]
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	10.222 ± 0.001 Å
b	13.9344 ± 0.0007 Å
c	18.7749 ± 0.0017 Å
α	90°
β	100.202 ± 0.009°
γ	90°
Cell volume	2632 ± 0.4 Å³
Cell temperature	150.03 ± 0.1 K
Ambient diffraction temperature	150.03 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	7035969.cif
152575	2015-07-28	cif/ Adding structures of 7035966, 7035967, 7035968, 7035969, 7035970, 7035971, 7035972, 7035973 via cif-deposit CGI script.	7035969.cif