Crystallography Open Database

Information card for entry 1572122

Preview

Coordinates	1572122.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dicarbonyl-1κ^2^<i>C</i>-μ-chlorido-2:3κ^2^<i>Cl</i>:<i>Cl</i>-pentachlorido-2κ^2^<i>Cl</i>,3κ^3^<i>Cl</i>-[1(η^6^)-toluene]digallium(III)ruthenium(I)(<i>Ru</i>—<i>Ga</i>)
Formula	C9 H8 Cl6 Ga2 O2 Ru
Calculated formula	C9 H8 Cl6 Ga2 O2 Ru
SMILES	[Ru]12345([Ga](Cl)(Cl)[Cl][Ga](Cl)(Cl)Cl)(C#[O])(C#[O])[c]6([cH]1[cH]2[cH]3[cH]4[cH]56)C
Title of publication	Dicarbonyl-1κ2 C-μ-chlorido-2:3κ2 Cl:Cl-pentachlorido-2κ2 Cl,3κ3 Cl-[1(η6)-toluene]digallium(III)ruthenium(I)(Ru—Ga)
Authors of publication	Smith, Danielle; Harakas, George N.
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	7
Pages of publication	x240657
a	13.1598 ± 0.0006 Å
b	9.7142 ± 0.0004 Å
c	15.3369 ± 0.0007 Å
α	90°
β	115.257 ± 0.001°
γ	90°
Cell volume	1773.19 ± 0.14 Å³
Cell temperature	248 ± 2 K
Ambient diffraction temperature	248 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0182
Residual factor for significantly intense reflections	0.0163
Weighted residual factors for significantly intense reflections	0.0405
Weighted residual factors for all reflections included in the refinement	0.0411
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1572122.cif
293352	2024-07-10	cif/ Adding structures of 1572122 via cif-deposit CGI script.	1572122.cif