Information card for entry 7714715

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 ų
• 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 Fobs: No