Crystallography Open Database

Information card for entry 8107214

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Coordinates	8107214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 Cl F6 N2 O P Ru
Calculated formula	C22 H26 Cl F6 N2 O P Ru
SMILES	[Ru]123456(Cl)([n]7c(ccc(c7)C)c7[n]1cc(cc7)C)[c]1([cH]6[cH]5[cH]4[cH]3[cH]21)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C
Title of publication	Crystal structure of chlorido-(η 6-toluene)(5,5′-dimethyl-2,2′-bipyridine-κ2 N,N′)ruthenium(II) hexafluoridophosphate(V) ─ acetone (1/1) C22H26ClN2ORuPF6
Authors of publication	Gichumbi, Joel M.; Zamisa, Sizwe J.; Friedrich, Holger B.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	5
Pages of publication	779 - 781
a	10.2106 ± 0.0004 Å
b	10.8139 ± 0.0004 Å
c	11.1963 ± 0.0004 Å
α	93.765 ± 0.002°
β	90.418 ± 0.001°
γ	94.324 ± 0.002°
Cell volume	1229.98 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0266
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
283816 (current)	2023-05-17	cif/ Adding structures of 8107214 via cif-deposit CGI script.	8107214.cif