Crystallography Open Database

Information card for entry 7241650

Preview

Coordinates	7241650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H17 F6 O P Ru
Calculated formula	C14 H17 F6 O P Ru
SMILES	[cH]12[cH]3[cH]4[cH]5[cH]1[Ru]167892345[cH]2[cH]1[c]9([cH]6[cH]7[cH]82)[C@H](C)OC.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.
Authors of publication	Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2020
Journal volume	22
Journal issue	44
Pages of publication	25803 - 25810
a	9.5873 ± 0.0006 Å
b	12.2766 ± 0.0008 Å
c	12.9471 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1523.87 ± 0.17 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0145
Residual factor for significantly intense reflections	0.0144
Weighted residual factors for significantly intense reflections	0.0364
Weighted residual factors for all reflections included in the refinement	0.0364
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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
259567 (current)	2020-12-05	cif/ Adding structures of 7241650, 7241651, 7241652 via cif-deposit CGI script.	7241650.cif