Crystallography Open Database

Information card for entry 4517226

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Coordinates	4517226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61.01 H55.04 Cl5 Fe2 O4 P2 Ru
Calculated formula	C61.01 H55.03 Cl5 Fe2 O4 P2 Ru
Title of publication	Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines
Authors of publication	Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie
Journal of publication	ACS Omega
Year of publication	2019
Journal volume	4
Journal issue	27
Pages of publication	22540
a	10.8773 ± 0.0002 Å
b	19.3811 ± 0.0004 Å
c	52.8787 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	11147.6 ± 0.4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0928
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.1793
Weighted residual factors for all reflections included in the refinement	0.1892
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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