Information card for entry 7133022

Structure parameters

• Formula: C56 H41 Br3 Cl4 N4 O6 P2 Ru
• Calculated formula: C56 H41 Br3 Cl4 N4 O6 P2 Ru
• SMILES: [RuH]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([O]=C(c2nc(Br)ccc2)c2[n]1c(n1c(Br)cccc21)c1nc(Br)ccc1)C#[O].Cl(=O)(=O)(=O)[O-].ClC(Cl)Cl
• Title of publication: Superior electrocatalytic hydrogen evolution activity of a triply bridged diruthenium(II) complex on a carbon cloth support.
• Authors of publication: Arya, Yogita; Ansari, Toufik; Bera, Sudip Kumar; Panda, Sanjib; Indra, Arindam; Lahiri, Goutam Kumar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 47
• Pages of publication: 6011 - 6014
• a: 18.3915 ± 0.0002 Å
• b: 14.4654 ± 0.0002 Å
• c: 20.9301 ± 0.0003 Å
• α: 90°
• β: 100.804 ± 0.001°
• γ: 90°
• Cell volume: 5469.55 ± 0.13 ų
• Cell temperature: 111.5 ± 0.7 K
• Ambient diffraction temperature: 111.5 ± 0.7 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No