Crystallography Open Database

Information card for entry 1572653

Preview

Coordinates	1572653.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Δ-Bis[(<i>S</i>)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>^1^](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')ruthenium(III) hexafluoridophosphate
Formula	C36 H36 F6 N4 O4 P Ru
Calculated formula	C36 H36 F6 N4 O4 P Ru
Title of publication	Δ-Bis[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato-κ2 N,O 1](1,10-phenanthroline-κ2 N,N′)ruthenium(III) hexafluoridophosphate
Authors of publication	Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	9
a	15.3094 ± 0.0013 Å
b	15.3094 ± 0.0013 Å
c	15.315 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3589.5 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294844 (current)	2024-09-21	cif/ Adding structures of 1572653 via cif-deposit CGI script.	1572653.cif