Crystallography Open Database

Information card for entry 8105148

Preview

Coordinates	8105148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H26 F6 I N2 P Ru
Calculated formula	C19 H26 F6 I N2 P Ru
SMILES	c12cccc[n]2[Ru]23456([c]7([cH]6[cH]5[c]4([cH]3[cH]27)C)C(C)C)([N](=C1)C(C)C)I.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Crystal structure of η6-p-cymene-iodido-(N-isopropyl-1-(pyridin-2-yl)methanimine-κ2 N,N′)ruthenium(II) hexafluorophosphate(V), C19H26IN2F6Ru
Authors of publication	Gichumbi, Joel M.; Omondi, Bernard; Friedrich, Holger B.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	2
Pages of publication	485 - 487
a	9.2401 ± 0.0002 Å
b	10.0187 ± 0.0003 Å
c	12.6892 ± 0.0003 Å
α	78.921 ± 0.001°
β	81.596 ± 0.001°
γ	83.654 ± 0.001°
Cell volume	1136.3 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0195
Residual factor for significantly intense reflections	0.0174
Weighted residual factors for significantly intense reflections	0.0429
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
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
274914 (current)	2022-05-05	cif/ Adding structures of 8105148 via cif-deposit CGI script.	8105148.cif