Crystallography Open Database

Information card for entry 7714819

Preview

Coordinates	7714819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H40 N4 O10 Ru2
Calculated formula	C34 H40 N4 O10 Ru2
SMILES	[Ru]123([O]=C(C=C(O1)C)C)([O]=C(C)C=C(O2)C)[n]1c(C(=O)N3CCN2[Ru]34([O]=C(C=C(O3)C)C)(OC(=CC(=[O]4)C)C)[n]3ccccc3C2=O)cccc1
Title of publication	Metal-ligand synergy driven functionalisation of alkylene linked bis(aldimine) on a diruthenium(II) platform. Cyclisation <i>versus</i> oxygenation.
Authors of publication	Biswas, Mitrali; Dey, Sanchaita; Dhara, Suman; Panda, Sanjib; Lahiri, Goutam Kumar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	5
Pages of publication	2167 - 2180
a	12.5742 ± 0.001 Å
b	12.8511 ± 0.0011 Å
c	13.6116 ± 0.0012 Å
α	72.1 ± 0.008°
β	69.913 ± 0.008°
γ	81.135 ± 0.007°
Cell volume	1962.8 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0906
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1683
Weighted residual factors for all reflections included in the refinement	0.1878
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289487 (current)	2024-02-04	cif/ Updating files of 7714816, 7714817, 7714818, 7714819, 7714820, 7714821, 7714822 Original log message: Adding full bibliography for 7714816--7714822.cif.	7714819.cif
288496	2023-12-22	cif/ Adding structures of 7714816, 7714817, 7714818, 7714819, 7714820, 7714821, 7714822 via cif-deposit CGI script.	7714819.cif