Crystallography Open Database

Information card for entry 1574931

Preview

Coordinates	1574931.cif
Original IUCr paper	HTML

Structure parameters

Common name	(η^4^-Trimethylenemethane)(1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane)ruthenium(II) diethyl ether hemisolvate
Chemical name	(η^4^-2-Methylidenepropane-1,3-diyl)(1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane)ruthenium(II) diethyl ether hemisolvate
Formula	C53 H62 O6.5 P3 Ru
Calculated formula	C53 H62 O6.5 P3 Ru
Title of publication	(η4-Trimethylenemethane)(1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane)ruthenium(II) diethyl ether hemisolvate
Authors of publication	Stein, Carolin A. M.; Alberico, Elisabetta; Spannenberg, Anke; Beller, Matthias; Junge, Henrik
Journal of publication	IUCrData
Year of publication	2025
Journal volume	10
Journal issue	6
Pages of publication	x250524
a	9.1504 ± 0.0013 Å
b	11.6521 ± 0.0016 Å
c	24.868 ± 0.004 Å
α	95.453 ± 0.003°
β	98.296 ± 0.003°
γ	90.372 ± 0.003°
Cell volume	2611.3 ± 0.7 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1574931.cif
300228	2025-06-26	cif/ Adding structures of 1574931 via cif-deposit CGI script.	1574931.cif