Crystallography Open Database

Information card for entry 7710445

Preview

Coordinates	7710445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H26 N6 O6 Ru
Calculated formula	C42 H26 N6 O6 Ru
SMILES	[Ru]123(OC4=C(C5=C(O1)C(=O)c1ccccc1C5=O)C(=O)c1c(C4=O)cccc1)([N](=Nc1[n]2cccc1)c1ccccc1)[n]1c(N=[N]3c2ccccc2)cccc1
Title of publication	Bidirectional noninnocence of hinge like deprotonated bis-lawsone on selective ruthenium platform. A function of varying ancillary ligands
Authors of publication	Lahiri, Goutam Kumar; Bera, Sudip Kumar; Arya, Yogita; Jimenez-Aparicio, Reyes; Priego, Jose Luis
Journal of publication	Dalton Transactions
Year of publication	2022
a	10.5921 ± 0.0002 Å
b	10.6083 ± 0.0003 Å
c	17.9619 ± 0.0004 Å
α	101.563 ± 0.002°
β	93.856 ± 0.002°
γ	117.094 ± 0.003°
Cell volume	1731 ± 0.09 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	0.0719
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1969
Weighted residual factors for all reflections included in the refinement	0.2025
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
275930 (current)	2022-06-09	cif/ Adding structures of 7710443, 7710444, 7710445 via cif-deposit CGI script.	7710445.cif