Crystallography Open Database

Information card for entry 4071083

Preview

Coordinates	4071083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 F12 Fe P2
Calculated formula	C14 H8 F12 Fe P2
SMILES	C(F)(F)(F)P([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)P(C(F)(F)F)C(F)(F)F)C(F)(F)F
Title of publication	Synthesis, Structure, and Coordination Properties of 1,1′-Bis(bis(trifluoromethyl)phosphino)ferrocene, dfmpf
Authors of publication	Velazco, Euclides J.; Caffyn, Andrew J. M.; Le Goff, Xavier F.; Ricard, Louis
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	11
Pages of publication	2402
a	17.536 ± 0.001 Å
b	9.85 ± 0.001 Å
c	12.428 ± 0.001 Å
α	90°
β	125.65 ± 0.001°
γ	90°
Cell volume	1744.4 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
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	0.0324
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178599 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/10.	4071083.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071083.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071083.cif
43034	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071083, 4071084, 4071085 via cif-deposit CGI script.	4071083.cif