Crystallography Open Database

Information card for entry 7241652

Preview

Coordinates	7241652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H29 B11 O Ru
Calculated formula	C15 H29 B11 O Ru
SMILES	[Ru]123456789([cH]%10[cH]4[cH]3[cH]2[cH]1%10)[c]1([cH]9[cH]8[cH]7[cH]6[cH]51)C(OC)C.[CH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%1458[BH]58%11[BH]%11%15%12[BH]%129%13[BH]3%15([BH]28%11[BH]16%145)[BH]47%10%12
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	8.7042 ± 0.001 Å
b	10.1448 ± 0.0012 Å
c	12.0722 ± 0.0014 Å
α	99.046 ± 0.001°
β	95.893 ± 0.001°
γ	96.477 ± 0.001°
Cell volume	1038.1 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 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	0.0203
Residual factor for significantly intense reflections	0.0201
Weighted residual factors for significantly intense reflections	0.0532
Weighted residual factors for all reflections included in the refinement	0.0533
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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.	7241652.cif