Crystallography Open Database

Information card for entry 7061046

Preview

Coordinates	7061046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 N4 O8 Ru
Calculated formula	C28 H30 N4 O8 Ru
SMILES	[Ru]12([OH2])([n]3c(cccc3C(=O)N2Cc2ccc(OC)cc2)C(=O)N1Cc1ccc(OC)cc1)(C#[O])C#[O].O=CN(C)C
Title of publication	Ruthenium macrocycles bearing pyridine bis(carboxamide): synthesis, structure, and catalytic activity for hydrosilylation
Authors of publication	Sato, Hiroki; Tsukamoto, Tadashi; Sogawa, Hiromitsu; Kuwata, Shigeki; Takata, Toshikazu
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	39
Pages of publication	18282 - 18289
a	10.696 ± 0.002 Å
b	22.632 ± 0.005 Å
c	11.846 ± 0.003 Å
α	90°
β	102.617 ± 0.003°
γ	90°
Cell volume	2798.3 ± 1.1 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
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	0.0431
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270327 (current)	2021-11-06	cif/ Adding structures of 7061045, 7061046, 7061047, 7061048 via cif-deposit CGI script.	7061046.cif