Crystallography Open Database

Information card for entry 7057748

Preview

Coordinates	7057748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 Cl N3 O3 Ru
Calculated formula	C26 H30 Cl N3 O3 Ru
Title of publication	Ruthenium p-cymene complexes with α-diimine ligands as catalytic precursors for the transfer hydrogenation of ethyl levulinate to γ-valerolactone
Authors of publication	Biancalana, Lorenzo; Fulignati, Sara; Antonetti, Claudia; Zacchini, Stefano; Provinciali, Giacomo; Pampaloni, Guido; Raspolli Galletti, Anna Maria; Marchetti, Fabio
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	21
Pages of publication	17574
a	9.8785 ± 0.0006 Å
b	13.908 ± 0.0009 Å
c	18.1728 ± 0.0011 Å
α	90°
β	101.945 ± 0.001°
γ	90°
Cell volume	2442.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
230509 (current)	2019-11-17	cif/ Updating files of 7057747, 7057748 Original log message: Adding full bibliography for 7057747--7057748.cif.	7057748.cif
211076	2018-09-20	cif/ Adding structures of 7057747, 7057748 via cif-deposit CGI script.	7057748.cif