Information card for entry 7128827

Structure parameters

• Formula: C16 H28 I2 N3 O P Ru
• Calculated formula: C16 H28 I2 N3 O P Ru
• SMILES: I[Ru]12345(I)([P]67CN8CN(CN(C6)C8)C7)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C.O
• Title of publication: Acid-assisted hydrogenation of CO₂ to methanol using Ru(II) and Rh(III) RAPTA-type catalysts under mild conditions.
• Authors of publication: Trivedi, Manoj; Sharma, Pooja; Pandey, Indresh Kumar; Kumar, Abhinav; Kumar, Sanjay; Rath, Nigam P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 71
• Pages of publication: 8941 - 8944
• a: 7.2166 ± 0.0006 Å
• b: 13.8579 ± 0.0014 Å
• c: 21.181 ± 0.002 Å
• α: 79.132 ± 0.006°
• β: 84.396 ± 0.005°
• γ: 86.572 ± 0.005°
• Cell volume: 2068.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0468
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No