Crystallography Open Database

Information card for entry 4087689

Preview

Coordinates	4087689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H39 Fe2 P Ru
Calculated formula	C36 H39 Fe2.0031 P Ru0.9969
Title of publication	Synthesis and Characterization of a Family of Air-Stable Ferrocene- and Ruthenocene-Containing Primary, Secondary, and Tertiary Phosphines
Authors of publication	Kenaree, Amir Rabiee; Cuthbert, Tyler J.; Barbon, Stephanie M.; Boyle, Paul D.; Gillies, Elizabeth R.; Ragogna, Paul J.; Gilroy, Joe B.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	17
Pages of publication	4272
a	11.19 ± 0.002 Å
b	11.696 ± 0.004 Å
c	11.888 ± 0.005 Å
α	84.94 ± 0.02°
β	83.442 ± 0.018°
γ	74.634 ± 0.013°
Cell volume	1487.7 ± 0.9 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.0496
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.0802
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
236922 (current)	2019-11-24	cif/ Adding structures of 4087687, 4087688, 4087689, 4087690, 4087691 via cif-deposit CGI script.	4087689.cif