Information card for entry 7714714

Structure parameters

• Formula: C45 H41 Cl N6 O5 P2 Ru
• Calculated formula: C45 H41 Cl N6 O5 P2 Ru
• SMILES: [RuH]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([N](=Nc2[n]1n(cc2)C)c1nn(cc1)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: 11.7897 ± 0.0002 Å
• b: 12.8924 ± 0.0003 Å
• c: 15.6424 ± 0.0002 Å
• α: 92.211 ± 0.001°
• β: 100.275 ± 0.001°
• γ: 114.235 ± 0.002°
• Cell volume: 2116.67 ± 0.08 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No