Crystallography Open Database

Information card for entry 4087687

Preview

Coordinates	4087687.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 P Ru2
Calculated formula	C24 H27 P Ru2
SMILES	[Ru]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81CCPCC[c]12[cH]3[Ru]4567891([cH]1[cH]4[cH]5[cH]6[cH]71)[cH]3[cH]8[cH]29
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	29.614 ± 0.004 Å
b	5.7191 ± 0.0007 Å
c	25.299 ± 0.003 Å
α	90°
β	108.331 ± 0.006°
γ	90°
Cell volume	4067.3 ± 0.9 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	4
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	0.0469
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
236922 (current)	2019-11-24	cif/ Adding structures of 4087687, 4087688, 4087689, 4087690, 4087691 via cif-deposit CGI script.	4087687.cif