Crystallography Open Database

Information card for entry 7224569

Preview

Coordinates	7224569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H29 F6 O P Ru
Calculated formula	C20 H29 F6 O P Ru
SMILES	[Ru]123456789([cH]%10[cH]1[cH]2[cH]3[cH]4%10)[cH]1[c]9(OCCCCCCCCC)[cH]8[cH]7[cH]6[cH]51.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes.
Authors of publication	Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2016
Journal volume	18
Journal issue	15
Pages of publication	10041 - 10048
a	10.389 ± 0.003 Å
b	10.393 ± 0.003 Å
c	11.05 ± 0.003 Å
α	84.703 ± 0.004°
β	67.159 ± 0.004°
γ	82.242 ± 0.004°
Cell volume	1088.4 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0292
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0579
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
182796 (current)	2016-05-06	cif/ Updating files of 7224569, 7224570, 7224571 Original log message: Adding full bibliography for 7224569--7224571.cif.	7224569.cif
178073	2016-03-10	cif/ Adding structures of 7224569, 7224570, 7224571 via cif-deposit CGI script.	7224569.cif