Crystallography Open Database

Information card for entry 7710443

Preview

Coordinates	7710443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H37 O14 Ru2
Calculated formula	C40 H37 O14 Ru2
SMILES	[Ru]123(OC4C(=[O]1)c1ccccc1C(=O)C=4C1=C4O[Ru]56([O]=C4c4ccccc4C1=O)(OC(=CC(=[O]6)C)C)OC(=CC(=[O]5)C)C)(OC(=CC(=[O]3)C)C)[O]=C(C=C(O2)C)C
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	12.1135 ± 0.0005 Å
b	13.4028 ± 0.0006 Å
c	14.546 ± 0.0008 Å
α	86.133 ± 0.004°
β	83.12 ± 0.004°
γ	78.119 ± 0.004°
Cell volume	2292.15 ± 0.19 Å³
Cell temperature	100.5 ± 0.7 K
Ambient diffraction temperature	100.5 ± 0.7 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.116
Residual factor for significantly intense reflections	0.1037
Weighted residual factors for significantly intense reflections	0.2791
Weighted residual factors for all reflections included in the refinement	0.2976
Goodness-of-fit parameter for all reflections included in the refinement	1.255
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.	7710443.cif