Crystallography Open Database

Information card for entry 8106320

Preview

Coordinates	8106320.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tri-mu-chloro-bis[(eta^6^-p-cymene)ruthenium(II)] Tetrafluoroborate
Formula	C20 H28 B Cl3 F4 Ru2
Calculated formula	C20 H28 B Cl3 F4 Ru2
SMILES	[Ru]1234567([Cl][Ru]89%10%11%12([Cl]1)([Cl]2)[c]1([cH]%12[cH]%11[c]%10([cH]9[cH]81)C(C)C)C)[c]1([cH]7[cH]6[c]5([cH]4[cH]31)C(C)C)C.[B](F)(F)(F)[F-]
Title of publication	Crystal structure of bis(η6-cymene)-tri-μ2-chlorido-ruthenium(II) tetrafluoroborate, C20H28BCl3F4Ru2
Authors of publication	Yan, Xiaowei; Zhu, Dongjian; Zhong, Xing; Wang, Sujuan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	5
Pages of publication	845 - 847
a	7.7061 ± 0.0015 Å
b	12.654 ± 0.003 Å
c	13.993 ± 0.003 Å
α	68.25 ± 0.03°
β	78.71 ± 0.03°
γ	88.89 ± 0.03°
Cell volume	1240.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0957
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.1826
Weighted residual factors for all reflections included in the refinement	0.2017
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
279696 (current)	2022-12-05	cif/ Adding structures of 8106320 via cif-deposit CGI script.	8106320.cif