Crystallography Open Database

Information card for entry 7714715

Preview

Coordinates	7714715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H39 Cl I2 N6 O5 P2 Ru
Calculated formula	C45 H39 Cl I2 N6 O5 P2 Ru
SMILES	[RuH]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2n(cc(I)c2N=[N]1c1nn(cc1I)C)C)C#[O].Cl(=O)(=O)(=O)[O-]
Title of publication	The isomer-sensitive electrochemical HER of ruthenium(II)-hydrido complexes involving redox-active azoheteroaromatics.
Authors of publication	Seikh, Liton; Dhara, Suman; Singh, Ajit Kumar; Singh, Aditi; Dey, Sanchaita; Indra, Arindam; Lahiri, Goutam Kumar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	4
Pages of publication	1746 - 1756
a	11.9419 ± 0.0001 Å
b	20.4204 ± 0.0002 Å
c	18.6846 ± 0.0001 Å
α	90°
β	93.633 ± 0.001°
γ	90°
Cell volume	4547.24 ± 0.06 Å³
Cell temperature	104 ± 0.1 K
Ambient diffraction temperature	104 ± 0.1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
289495 (current)	2024-02-04	cif/ Updating files of 7714712, 7714713, 7714714, 7714715 Original log message: Adding full bibliography for 7714712--7714715.cif.	7714715.cif
288331	2023-12-15	cif/ Adding structures of 7714712, 7714713, 7714714, 7714715 via cif-deposit CGI script.	7714715.cif